(±)-3-Hydroxy-4-methoxymandelic acid
Properties
- Molecular formula
- C9H10O5
- Molar mass
- 198.17 g/mol
- Exact mass
- 198.0528 Da
- Melting point
- 75 °C
- logP
- 0.52Crippen estimate
- Polar surface area
- 87.0 Ų
- H-bond donors / acceptors
- 3 / 4
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 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
3695-24-7SMILES
COc1ccc(C(O)C(=O)O)cc1OInChIKey
PXMUSCHKJYFZFD-UHFFFAOYSA-NInChI
InChI=1S/C9H10O5/c1-14-7-3-2-5(4-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzeneacetic acid, α,3-dihydroxy-4-methoxy-
- Mandelic acid, 3-hydroxy-4-methoxy-
- α,3-Dihydroxy-4-methoxybenzeneacetic acid
- 3-Hydroxy-4-methoxymandelic acid
- Isovanilmandelic acid
- (RS)-3-Hydroxy-4-methoxymandelic acid
- Isovanillyl-dl-mandelic acid
- 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetic acid
- 2-(3′-Hydroxy-4′-methoxyphenyl)-2-hydroxyethanoic acid
Work with (±)-3-Hydroxy-4-methoxymandelic acid
Similar compounds
(±)-3,4-Dihydroxymandelic acid14883-87-566 % similar
4-Methoxymandelic acid10502-44-060 % similar
3′,4′-Methylenedioxymandelic acid27738-46-156 % similar
2-(3,4-Difluorophenyl)-2-hydroxyacetic acid132741-29-852 % similar
4-Hydroxymandelic acid1198-84-151 % similar
Isovanillic acid645-08-951 % similar
Hesperetin520-33-248 % similar
3-Hydroxy-4-methoxybenzeneacetic acid1131-94-848 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds