3,5-Dimethyl-4-hydroxybenzaldehyde
PubChem CID: 75222
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| Compound Synonyms | 3,5-Dimethyl-4-hydroxybenzaldehyde, 2233-18-3, 4-Hydroxy-3,5-dimethylbenzaldehyde, Benzaldehyde, 4-hydroxy-3,5-dimethyl-, 4-Formyl-2,6-xylenol, 4-Hydroxy-3,5-DiMethyl-Benzaldehyde, 23PA2PMP9F, EINECS 218-774-5, MFCD00006946, NSC 128405, NSC-128405, DTXSID8062282, Benzaldehyde,5-dimethyl-, UNII-23PA2PMP9F, 4-formyl-2,6-dimethylphenol, SCHEMBL143965, DMHB-3,5, DTXCID2036665, BCP20234, 3,5 -dimethyl-4-hydroxybenzaldehyde, 3,5-dimethyl-4-hydroxy benzaldehyde, 3,5-dimethyl-4-hydroxy-benzaldehyde, 4-hydroxy 3,5-dimethyl benzaldehyde, 4-hydroxy-3, 5-dimethylbenzaldehyde, 4-Hydroxy-3,5-dimethyl benzaldehyde, BBL100114, NSC128405, STK498303, 4-hydroxy-3, 5-dimethyl benzaldehyde, AKOS000104166, CS-W007807, FH11334, HY-W007807, PS-4139, NCGC00335010-01, BP-22343, SY001837, 4-Hydroxy-3,5-dimethylbenzaldehyde, 95%, DB-024394, H1023, NS00027130, EN300-17665, AB01105446-03, Z56978032, 218-774-5 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-3,5-dimethylbenzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C9H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UYGBSRJODQHNLQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.941 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.173 |
| Compound Name | 3,5-Dimethyl-4-hydroxybenzaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6253337636363634 |
| Inchi | InChI=1S/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H3 |
| Smiles | CC1=CC(=CC(=C1O)C)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Linaria Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients