Methyl 3-(4-hydroxyphenyl)propionate

C10H12O3CAS 5597-50-2180.20 g/mol

OOOH
EsterPhenol

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
logP
1.50Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
5597-50-2
SMILES
COC(=O)CCC1=CC=C(C=C1)O
InChIKey
XRAMJHXWXCMGJM-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • Benzenepropanoic acid, 4-hydroxy-, methyl ester

Work with Methyl 3-(4-hydroxyphenyl)propionate

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere