4-Methyl-1-naphthoic acid
Properties
- Molecular formula
- C12H10O2
- Molar mass
- 186.21 g/mol
- Exact mass
- 186.0681 Da
- logP
- 2.85Crippen 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 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4488-40-8SMILES
CC1=CC=C(C2=CC=CC=C12)C(=O)OInChIKey
SIVYRLBDAPKADZ-UHFFFAOYSA-NInChI
InChI=1S/C12H10O2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7H,1H3,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-Methyl-1-naphthalenecarboxylic acid
Work with 4-Methyl-1-naphthoic acid
Similar compounds
1,4-Naphthalenedicarboxylic acid605-70-974 % similar
4-Acetyl-1-naphthalenecarboxylic acid131986-05-564 % similar
o-Toluic acid118-90-161 % similar
4-Chloronaphthalene-1-carboxylic acid1013-04-359 % similar
4-Bromo-1-naphtalenecarboxylic acid16650-55-859 % similar
4-Fluoro-1-naphthoic acid573-03-559 % similar
4-Methoxy-1-naphthalenecarboxylic acid13041-62-858 % similar
4-Ethyl-1-naphthoic acid91902-58-858 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.