2-(4-Hydroxyphenyl)propionic acid, (2S)-

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Basic information

CAS: 124578-19-4
Standard SMILES: C[C@H](C(=O)O)c1ccc(O)cc1
InChIKey: ZHMMPVANGNPCBW-LURJTMIESA-N
Molecular formula: C9H10O3
Average molar mass: 166.17 g/mol
Monoisotopic mass: 166.06299418

Names & identifiers

Preferred name: 2-(4-Hydroxyphenyl)propionic acid, (2S)-
IUPAC: (2S)-2-(4-hydroxyphenyl)propanoic acid

Names & synonyms

(S)-2-(4-Hydroxyphenyl)propanoic Acid124578-19-4MFCD30449523(2S)-2-(4-hydroxyphenyl)propanoic acid2-(4-Hydroxyphenyl)propionic acid, (2S)-(S)-(+)-2-(p-Hydroxyphenyl)propionic acid69997M3575(S)-2-(4-hydroxyphenyl)propionic acidSCHEMBL892055AC3350UNII-69997M3575AKOS037630774

Show more names

SY232323CS-0435917(alphaS)-4-Hydroxy-alpha-methylbenzeneacetic acidF763922Benzeneacetic acid, 4-hydroxy-alpha-methyl-, (alphaS)-(.ALPHA.S)-4-HYDROXY-.ALPHA.-METHYLBENZENEACETIC ACIDBENZENEACETIC ACID, 4-HYDROXY-.ALPHA.-METHYL-, (.ALPHA.S)-

Database identifiers

CAS: 124578-19-4
PubChem CID: 6971268
UNII: 69997M3575
Nikkaji: J1.419.339A

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 159

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Compound notes

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