2,5-Dimethylterephthalic acid
Properties
- Molecular formula
- C10H10O4
- Molar mass
- 194.19 g/mol
- Exact mass
- 194.0579 Da
- logP
- 1.70Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.4% 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
6051-66-7SMILES
CC1=CC(=C(C=C1C(=O)O)C)C(=O)OInChIKey
FKUJGZJNDUGCFU-UHFFFAOYSA-NInChI
InChI=1S/C10H10O4/c1-5-3-8(10(13)14)6(2)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,5-Dimethylterephthalic acid
Similar compounds
2,4,5-Trimethylbenzoic acid528-90-591 % similar
4,6-Dimethylisophthalic acid2790-09-286 % similar
4,5-Difluoro-2-methylbenzoic acid183237-86-770 % similar
2-Methyl-1,4-benzenedicarboxylic acid5156-01-464 % similar
2,5-Dimethylbenzoic acid610-72-064 % similar
2,4-Dimethylbenzoic acid611-01-864 % similar
2,4-Difluoro-5-methylbenzoic acid367954-99-262 % similar
5-Iodo-2-methylbenzoic acid54811-38-062 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.