3-(3,4-Dimethoxyphenyl)propionic acid
PubChem CID: 75019
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| Compound Synonyms | 2107-70-2, 3-(3,4-Dimethoxyphenyl)propionic acid, 3-(3,4-Dimethoxyphenyl)propanoic acid, 3,4-Dimethoxyhydrocinnamic acid, Benzenepropanoic acid, 3,4-dimethoxy-, 6XO32ZSP1D, MFCD00002774, CHEBI:44235, NSC-76043, 3-(3,4-Dimethoxyphenyl)-propionic acid, 3,4-DIMETHOXYBENZENEPROPIONIC ACID, 3,4-dimethoxy-alpha-beta-dihydrocinnamic acid, DTXSID70175294, EINECS 218-288-3, NSC 76043, 3,4-DIMETHOXYBENZENEPROPANOIC ACID, 3-(3',4'-dimethoxyphenyl)propanoic acid, 3-(3,4-Dimethoxy-phenyl)-propionic acid, HYDROCINNAMIC ACID, 3,4-DIMETHOXY-, .BETA.-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID, 3-(3,4-Dimethoxyphenyl)propanonic acid, 2ay3, UNII-6XO32ZSP1D, Oprea1_529953, MLS000779082, SCHEMBL347209, CHEMBL458049, DTXCID1097785, 3,4-Dimethoxy-Hydrocinnamic Acid, HMS2761I14, HMS3604O10, KUC108681N, HY-Y1620, NSC76043, STR05305, BBL008121, STK052389, AKOS000120617, AB00263, AC-3251, CS-W008790, DB04208, FD22224, PS-4041, 3-(3,4-dimethoxyphenyl) propionic acid, NCGC00246520-01, beta-(3,4-dimethoxyphenyl)propionic acid, KSC-11-266-2, PD006880, SMR000415779, SY004783, 3-(3,4-Dimethoxyphenyl)propanoic acid #, (3,4-DIMETHOXYPHENYL)PROPIONIC ACID, DB-021922, D1953, NS00026781, 3-(3,4-Dimethoxyphenyl)propionic acid, 99%, EN300-18221, AJ-292/41028972, Q27095035, Z57396496, F3145-3172, 218-288-3 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P83916, O95149, Q9UNA4, P59534 |
| Iupac Name | 3-(3,4-dimethoxyphenyl)propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C11H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LHHKQWQTBCTDQM-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -2.103 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.011 |
| Compound Name | 3-(3,4-Dimethoxyphenyl)propionic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 210.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 210.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8717198 |
| Inchi | InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13) |
| Smiles | COC1=C(C=C(C=C1)CCC(=O)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stellaria Dichotoma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all