4-Methoxymandelic acid
Properties
- Molecular formula
- C9H10O4
- Molar mass
- 182.17 g/mol
- Exact mass
- 182.0579 Da
- Melting point
- 108 °C
- logP
- 0.81Crippen estimate
- Polar surface area
- 66.8 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
Aggregated from 6 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
10502-44-0SMILES
COc1ccc(C(O)C(=O)O)cc1InChIKey
ITECRQOOEQWFPE-UHFFFAOYSA-NInChI
InChI=1S/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzeneacetic acid, α-hydroxy-4-methoxy-
- Mandelic acid, p-methoxy-
- α-Hydroxy-4-methoxybenzeneacetic acid
- p-Methoxymandelic acid
- 4-Methoxyphenylglycolic acid
- 2-Hydroxy-2-(4-methoxyphenyl)acetic acid
- DL-4-Methoxymandelic acid
- Hydroxy(4-methoxyphenyl)acetic acid
Work with 4-Methoxymandelic acid
Similar compounds
4,4'-Dimethoxybenzoin119-52-864 % similar
2-Amino-2-(4-methoxyphenyl)acetic acid19789-59-464 % similar
4-Propoxymandelic acid79694-16-962 % similar
4-Hydroxymandelic acid1198-84-161 % similar
Vanillylmandelic acid2394-20-960 % similar
(±)-3-Hydroxy-4-methoxymandelic acid3695-24-760 % similar
Vanillylmandelic acid55-10-760 % similar
(S)-Mandelic acid17199-29-058 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.