3-Ethynyl-4-methyl-benzoic acid
Properties
- Molecular formula
- C10H8O2
- Molar mass
- 160.17 g/mol
- Exact mass
- 160.0524 Da
- logP
- 1.67Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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
1001203-03-7SMILES
CC1=C(C=C(C=C1)C(=O)O)C#CInChIKey
FXLGXUBFIWFPJA-UHFFFAOYSA-NInChI
InChI=1S/C10H8O2/c1-3-8-6-9(10(11)12)5-4-7(8)2/h1,4-6H,2H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-Ethynyl-4-methylbenzoic acid
Work with 3-Ethynyl-4-methyl-benzoic acid
Similar compounds
3,4-Dimethylbenzoic acid619-04-562 % similar
3-Hydroxy-4-methylbenzoic acid586-30-157 % similar
3-Iodo-4-methylbenzoic acid82998-57-057 % similar
3-Amino-4-methylbenzoic acid2458-12-055 % similar
3-Fluoro-4-methylbenzoic acid350-28-755 % similar
3-Chloro-4-methylbenzoic acid5162-82-355 % similar
4-Ethynylbenzoic acid10602-00-353 % similar
4-Hydroxy-3-methylbenzoic acid499-76-353 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds