2-Hydroxyphenylacetic acid
PubChem CID: 11970
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| Compound Synonyms | 2-Hydroxyphenylacetic acid, 614-75-5, 2-(2-hydroxyphenyl)acetic acid, (2-Hydroxyphenyl)acetic acid, 2-Hydroxybenzeneacetic acid, Benzeneacetic acid, 2-hydroxy-, O-HYDROXYPHENYLACETIC ACID, 2-Hydroxyphenylacetate, Acetic acid, (o-hydroxyphenyl)-, (o-Hydroxyphenyl)acetic acid, ortho-Hydroxyphenylacetic acid, MFCD00004323, Hydroxyphenylacetic acid, o-Hydroxy phenylacetic acid, 2-HPAA, UK3R9Q59AV, CHEMBL240714, CHEBI:28478, NSC-62000, (2-HYDROXYPHENYL)-ACETIC ACID, 2-Hydroxyphenylaceticacid, UNII-UK3R9Q59AV, 2-hydroxy phenylacetic acid, Hydroxyphenylacetate, OHP, EINECS 210-393-2, NSC 62000, 2-Hydroxybenzeneacetate, (o-hydroxyphenyl)-Acetate, bmse000715, 2'-hydroxyphenylacetic acid, 2-hydroxy-phenylacetic acid, 2-hydroxy-benzeneacetic acid, SCHEMBL72309, 2-(Hydroxyphenyl)acetic acid, (o-hydroxyphenyl)-Acetic acid, Acetic acid, 2-hydroxyphenyl-, (2-hydroxy-phenyl)-acetic acid, DTXSID1060633, BDBM16426, NSC62000, HYDROXYPHENYLACETIC ACID, O-, s6154, STL301502, AKOS004909470, AC-2695, CS-W016306, FH24476, FS-2587, HY-W015590, BP-13099, PD099467, DB-013545, H0340, NS00014664, EN300-50865, C05852, 2-Hydroxyphenylacetic acid, ReagentPlus(R), 99%, Q27103728, 7C10F5F6-7BF6-48EE-85EE-22D3FA4D62B1, Z608061328, 2-Hydroxyphenylacetic acid, Vetec(TM) reagent grade, 98%, (o-Hydroxyphenyl)acetic acid, 2-HPAA, 2-Hydroxybenzeneacetic acid, InChI=1/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Description | ortho-Hydroxyphenylacetic acid is a substrate of the enzyme oxidoreductases [EC 1.14.13.-] in the pathway styrene degradation. (KEGG) [HMDB]. 2-Hydroxyphenylacetic acid is found in many foods, some of which are rambutan, common oregano, burbot, and wild leek. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P32754, P15121 |
| Iupac Name | 2-(2-hydroxyphenyl)acetic acid |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Target Id | NPT41 |
| Xlogp | 0.9 |
| Superclass | Benzenoids |
| Subclass | Phenylacetic acid derivatives |
| Molecular Formula | C8H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CCVYRRGZDBSHFU-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | 0.052 |
| Rotatable Bond Count | 2.0 |
| State | Liquid |
| Logd | 1.304 |
| Synonyms | (2-Hydroxyphenyl)acetate, (2-Hydroxyphenyl)acetic acid, (O-Hydroxyphenyl)-acetate, (O-Hydroxyphenyl)-acetic acid, (O-Hydroxyphenyl)acetate, (O-Hydroxyphenyl)acetic acid, 2-HPAA, 2-Hydroxybenzeneacetate, 2-Hydroxybenzeneacetic acid, 2-Hydroxybenzeneacetic acid, 9CI, 2-Hydroxyphenylacetate, 2'-Hydroxyphenylacetate, 2'-Hydroxyphenylacetic acid, Hydroxyphenylacetate, Hydroxyphenylacetic acid, o-Hydroxy-a-toluic acid, O-Hydroxyphenylacetate, O-Hydroxyphenylacetic acid, 2-Hydroxyphenylacetic acid, Ortho-hydroxyphenylacetate, O-Hydroxyphenyl acetic acid, Ortho-hydroxyphenylacetic acid |
| Substituent Name | Phenylacetate, Phenol, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | 2-Hydroxyphenylacetic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 152.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -1.5904601636363631 |
| Inchi | InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11) |
| Smiles | C1=CC=C(C(=C1)CC(=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 2(hydroxyphenyl)acetic acids |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Theobroma Cacao (Plant) Rel Props:Source_db:fooddb_chem_all