3-(3'-Hydroxyphenyl)propionic acid

C₉H₁₀O₃CAS 621-54-5166.18 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₉H₁₀O₃
Molar mass: 166.18 g/mol
Exact mass: 166.0630 Da
Melting point: 99–100 °C
logP: 1.41Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed12.5% of notifiers
H315 Causes skin irritation87.5% of notifiers
H318 Causes serious eye damage12.5% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

621-54-5

SMILES

O=C(O)CCc1cccc(O)c1

InChIKey

QVWAEZJXDYOKEH-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all

3-(3′-Hydroxyphenyl)propionic acid
Benzenepropanoic acid, 3-hydroxy-
Hydrocinnamic acid, m-hydroxy-
3-Hydroxybenzenepropanoic acid
m-Hydroxyphenylpropionic acid
β-(m-Hydroxyphenyl)propionic acid
3-(m-Hydroxyphenyl)propionic acid
3-Hydroxyphenylpropionic acid
β-(3-Hydroxyphenyl)propionic acid
Dihydro-m-coumaric acid
3-Hydroxydihydrocinnamic acid
3-(3-Hydroxyphenyl)propionic acid
3-(3-Hydroxyphenyl)propanoic acid
NSC 33135
NSC 39468
MFCD 00002598
m-Hydroxybenzene propanoic acid

Work with 3-(3'-Hydroxyphenyl)propionic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3'-Hydroxyphenylacetic acid621-37-470 % similar 3-(3-Aminophenyl)propionic acid1664-54-666 % similar 3-(3-Chlorophenyl)propanoic acid21640-48-266 % similar 3-(3-Fluorophenyl)propionic acid458-45-766 % similar Phloretic acid501-97-366 % similar Phenylpropanoic acid501-52-065 % similar 3-(3-Methylphenyl)propionic acid3751-48-264 % similar 3-(3-Bromophenyl)propionic acid42287-90-164 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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