| Phytochemical Name : Phenylacetic Acid |
| PCNDIDP0084 |
| Pubchem CID : 999 |
| Molecular formula: C8H8O2 |
| Canonical SMILES : C1=CC=C(C=C1)CC(=O)O |
Synonymes : PHENYLACETIC ACID|2-Phenylacetic acid|Benzeneacetic acid|103-82-2|Phenylethanoic acid|alpha-Toluic acid|Acetic acid, phenyl-|Benzenacetic acid|phenylacetate|Benzylformic acid|Phenyllacetic acid|Benzylcarboxylic acid|Kyselina fenyloctova|Phenylacetic acid (natural)|omega-Phenylacetic acid|FEMA No. 2878|PHENYL ACETIC ACID|.alpha.-Toluic acid|Kyselina fenyloctova [Czech]|NSC 125718|CHEBI:30745|BRN 1099647|HSDB 5010|.omega.-Phenylacetic acid|AI3-08920|EINECS 203-148-6|UNII-ER5I1W795A|ER5I1W795A|DTXSID2021656|PHENYL-ACETIC ACID|NSC-125718|CHEMBL1044|DTXCID201656|EC 203-148-6|4-09-00-01614 (Beilstein Handbook Reference)|Benzeneacetate|MFCD00004313|NSC125718|2-phenylethanoate|NCGC00159477-02|51146-16-8|ASTUGENAL COMPONENT PHENYLACETIC ACID|17303-65-0|ANTINEOPLASTON AS 2-1 COMPONENT PHENYLACETIC ACID|ANTINEOPLASTON AS2-1 COMPONENT PHENYLACETIC ACID|1173020-54-6|CAS-103-82-2|TROPICAMIDE IMPURITY D (EP IMPURITY)|TROPICAMIDE IMPURITY D [EP IMPURITY]|BENZYLPENICILLIN SODIUM IMPURITY B (EP IMPURITY)|BENZYLPENICILLIN SODIUM IMPURITY B [EP IMPURITY]|BENZYLPENICILLIN POTASSIUM IMPURITY B (EP IMPURITY)|BENZYLPENICILLIN POTASSIUM IMPURITY B [EP IMPURITY]|PROCAINE BENZYLPENICILLIN IMPURITY E (EP IMPURITY)|PROCAINE BENZYLPENICILLIN IMPURITY E [EP IMPURITY]|Phenylacetic|Phenylethanoate|Phenylessigsaure|w-Phenylacetate|alpha-Toluate|phenylactic acid|a-Toluate|a-Toluic acid|Benzeneacetiic acid|omega-Phenylacetate|organic white solid|w-Phenylacetic acid|Phenylacetate, XIX|2-phenyl-acetic acid|Phenylacetic acid, 99%|bmse000220|Epitope ID:116202|SCHEMBL1459|PHENYLACETIC ACID [MI]|PHENYLACETIC ACID [FCC]|PHENYLACETIC ACID [FHFI]|PHENYLACETIC ACID [HSDB]|BDBM16419|Phenylacetic acid_GurudeebanSatyavani|Tox21_113042|Tox21_200533|NSC139637|Phenylacetic acid, natural, >=99%|STK297835|Phenylacetic acid, analytical standard|AKOS000291351|Tox21_113042_1|CS-O-30733|DB09269|DL-0063|LS-3041|NSC-139637|Phenylacetic acid, >=99%, FCC, FG|NCGC00159477-03|NCGC00159477-05|NCGC00258087-01|BP-11383|NCI60_000596|NCI60_002571|Phenylacetic acid, natural, >=99%, FG|FT-0641197|FT-0701063|Phenylacetic acid, plant cell culture tested|C07086|Q410842|8727557E-AA75-49E9-8E5A-7A2412D71888|BENZYLPENICILLIN (BENZATHINE) TETRAHYDRATE IMPURITY B { EP IMPURITY]|Tropicamide impurity D (Phenylacetic acid - Drug Precursor), European Pharmacopoeia (EP) Reference Standard |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.230 |
| Log Po/w (XLOGP3) : 1.410 |
| Log Po/w (WLOGP) : 1.310 |
| Log Po/w (MLOGP) : 1.660 |
| Log Po/w (SILICOS-IT) : 1.540 |
| Consensus Log Po/w : 1.430 |

