Phenylmalonic acid
Properties
- Molecular formula
- C9H8O4
- Molar mass
- 180.16 g/mol
- Exact mass
- 180.0423 Da
- Melting point
- 191 °C
- logP
- 0.94Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 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
2613-89-0SMILES
O=C(O)C(C(=O)O)c1ccccc1InChIKey
WWYDYZMNFQIYPT-UHFFFAOYSA-NInChI
InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Propanedioic acid, 2-phenyl-
- Toluene-α,α-dicarboxylic acid
- 2-Phenylmalonic acid
- α-Carboxyphenylacetic acid
- α-Phenylmalonic acid
- NSC 27164
- NSC 41697
- Malonic acid, phenyl-
- Propanedioic acid, phenyl-
- 2-Phenylpropanedioic acid
Work with Phenylmalonic acid
Similar compounds
Diphenylacetic acid117-34-068 % similar
(S)-Mandelic acid17199-29-063 % similar
Chloro(phenyl)acetic acid4755-72-063 % similar
(-)-Mandelic acid611-71-263 % similar
Mandelic acid611-72-363 % similar
Mandelic acid90-64-263 % similar
Fluorophenylacetic acid1578-63-861 % similar
Phenylglycine2835-06-561 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds