3,4-Dimethylacetophenone

PubChem CID: 77193

Connections displayed (default: 10).

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Compound Synonyms	3',4'-Dimethylacetophenone, 3637-01-2, 1-(3,4-Dimethylphenyl)ethanone, 3,4-Dimethylacetophenone, Ethanone, 1-(3,4-dimethylphenyl)-, 1-(3,4-Dimethylphenyl)ethan-1-one, PC1L145T5V, Acetophenone, 3',4'-dimethyl-, MFCD00008743, DTXSID0063109, 1-(3,4-dimethyl-phenyl)-ethanone, EINECS 222-859-2, METHYL 3,4-DIMETHYLPHENYL KETONE, 34Dimethylacetophenone, 3.4-Dimethylacetophenon, 3,4-dimethyl-acetophenone, UNII-PC1L145T5V, (3,4-Dimethylphenyl)ethanone, SCHEMBL110321, 3\',4\'-Dimethylacetophenone, CHEMBL549898, F9995-0151, DTXCID3039165, 3/'.4/'-Dimethyl acetophenone, 1-(3,4-DimethylphenyI)ethanone, 3',4'-Dimethylacetophenone, 98%, ALBB-004401, 1-(3,4-Dimethylphenyl)ethanone #, STK500750, AKOS000119377, 3,4-(CH3)2C6H3-COCH3, CS-W014398, FD39726, AC-19782, AS-14424, BP-12707, SY061591, NS00048345, EN300-20237, C13333, A823216, Q27286469, Z104477440, 3 inverted exclamation mark ,4 inverted exclamation mark -Dimethylacetophenone, 3 inverted exclamation marka,4 inverted exclamation marka-Dimethylacetophenone
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	11.0
Isotope Atom Count	0.0
Molecular Complexity	151.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	n.a.
Iupac Name	1-(3,4-dimethylphenyl)ethanone
Prediction Hob	1.0
Xlogp	2.9
Molecular Formula	C10H12O
Prediction Swissadme	0.0
Inchi Key	WPRAXAOJIODQJR-UHFFFAOYSA-N
Fcsp3	0.3
Logs	-2.604
Rotatable Bond Count	1.0
Logd	2.58
Compound Name	3,4-Dimethylacetophenone
Prediction Hob Swissadme	0.0
Exact Mass	148.089
Formal Charge	0.0
Monoisotopic Mass	148.089
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	148.2
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Esol	-2.4888073636363637
Inchi	InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3
Smiles	CC1=C(C=C(C=C1)C(=O)C)C
Nring	1.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Aconitum Gigas (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
3. Outgoing r'ship FOUND_IN to/from Angelica Anomala (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Angelica Archangelica (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Angelica Cyclocarpa (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Angelica Dahurica (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Angelica Decursiva (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Angelica Furcijuga (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Angelica Genuflexa (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
11. Outgoing r'ship FOUND_IN to/from Angelica Glabra (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Angelica Glauca (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Angelica Hirsutiflora (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Angelica Keiskei (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Angelica Lucida (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Angelica Nubigena (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Angelica Officinalis (Plant) Rel Props:Reference:
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20. Outgoing r'ship FOUND_IN to/from Angelica Pubescens (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Angelica Saxatilis (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
23. Outgoing r'ship FOUND_IN to/from Angelica Sylvestris (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Angelica Taiwaniana (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Angelica Talwaniana (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Angelica Tarokoensis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Angelica Tenuissima (Plant) Rel Props:Reference:
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29. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Bretschneidera Sinensis (Plant) Rel Props:Reference:
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32. Outgoing r'ship FOUND_IN to/from Cephalotaxus Sinensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Cordia Sinensis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Cryptolepis Sinensis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Diphylleia Sinensis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Dolichos Sinensis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Entada Gigas (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
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46. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
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48. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
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50. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:

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3,4-Dimethylacetophenone

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Phytochemical Properties

Associated Connections 57

Plant Connections 57