4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
Properties
- Molecular formula
- C13H13NO2
- Molar mass
- 215.25 g/mol
- Exact mass
- 215.0946 Da
- logP
- 2.79Crippen estimate
- Polar surface area
- 42.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
15898-26-7SMILES
CC1=CC=C(N1C2=CC=C(C=C2)C(=O)O)CInChIKey
WNZAIUIEXCYTCY-UHFFFAOYSA-NInChI
InChI=1S/C13H13NO2/c1-9-3-4-10(2)14(9)12-7-5-11(6-8-12)13(15)16/h3-8H,1-2H3,(H,15,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-(2,5-Dimethyl-pyrrol-1-yl)-benzoic acid
Work with 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
Similar compounds
N-(4-Acetylphenyl)-2,5-dimethylpyrrole83935-45-961 % similar
4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid81282-82-856 % similar
Terephthalic acid100-21-056 % similar
p-Toluic acid99-94-555 % similar
4-(1H-Pyrrol-1-yl)benzoic acid22106-33-853 % similar
4-(4H-1,2,4-Triazol-4-yl)benzoic acid157069-48-251 % similar
4,4',4''-Nitrilotribenzoic acid118996-38-650 % similar
Tetrakis(4-carboxyphenyl)ethylene1351279-73-650 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.