1,3-Benzenediacetic acid
Properties
- Molecular formula
- C10H10O4
- Molar mass
- 194.19 g/mol
- Exact mass
- 194.0579 Da
- Melting point
- 171.5–172 °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 irritation97.8% of notifiers
Aggregated from 45 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
19806-17-8SMILES
O=C(O)Cc1cccc(CC(=O)O)c1InChIKey
GDYYIJNDPMFMTB-UHFFFAOYSA-NInChI
InChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)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
- m-Benzenediacetic acid
- m-Phenylenediacetic acid
- 1,3-Phenylenediacetic acid
- NSC 75867
- (3-Carboxymethylphenyl)acetic acid
- 2,2′-(1,3-Phenylene)diacetic acid
- 2-[3-(Carboxymethyl)phenyl]acetic acid
Work with 1,3-Benzenediacetic acid
Similar compounds
(3-Chlorophenyl)acetic acid1878-65-575 % similar
3-Fluorophenylacetic acid331-25-975 % similar
3'-Hydroxyphenylacetic acid621-37-475 % similar
(3-Aminophenyl)acetic acid14338-36-472 % similar
3-Bromophenylacetic acid1878-67-772 % similar
3-Iodophenylacetic acid1878-69-972 % similar
(3-Methylphenyl)acetic acid621-36-372 % similar
Phenylacetic acid103-82-272 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.