1,2-Benzenediacetic acid
Properties
- Molecular formula
- C10H10O4
- Molar mass
- 194.19 g/mol
- Exact mass
- 194.0579 Da
- Melting point
- 150–152 °C
- logP
- 0.94Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 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
7500-53-0SMILES
O=C(O)Cc1ccccc1CC(=O)OInChIKey
MMEDJBFVJUFIDD-UHFFFAOYSA-NInChI
InChI=1S/C10H10O4/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- o-Benzenediacetic acid
- o-Phenylenediacetic acid
- 1,2-Phenylenediacetic acid
- NSC 401681
- (2-Carboxymethylphenyl)acetic acid
- 2,2′-(1,2-Phenylene)diacetic acid
- 2-[2-(Carboxymethyl)phenyl]acetic acid
Work with 1,2-Benzenediacetic acid
Similar compounds
2-Aminomethylphenylacetic acid40851-65-877 % similar
2-Bromophenylacetic acid18698-97-073 % similar
(2-Hydroxyphenyl)acetic acid614-75-573 % similar
2-Iodophenylacetic acid18698-96-970 % similar
o-Chlorophenylacetic acid2444-36-270 % similar
2-Aminophenylacetic acid3342-78-770 % similar
(2-Fluorophenyl)acetic acid451-82-170 % similar
(2-Methylphenyl)acetic acid644-36-070 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.