3-Iodo-4-methoxybenzoic acid
Properties
- Molecular formula
- C8H7IO3
- Molar mass
- 278.05 g/mol
- Exact mass
- 277.9440 Da
- logP
- 2.00Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation87.5% of notifiers
- H412 Harmful to aquatic life with long lasting effects12.5% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
68507-19-7SMILES
COC1=C(C=C(C=C1)C(=O)O)IInChIKey
HNJSYSWRPCCSQI-UHFFFAOYSA-NInChI
InChI=1S/C8H7IO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Iodo-4-methoxybenzoic acid
Similar compounds
Veratric acid93-07-271 % similar
4-Methoxy-3-methylbenzoic acid6880-04-269 % similar
4-Methoxy-1,3-benzenedicarboxylic acid2206-43-167 % similar
3-Amino-4-methoxybenzoic acid2840-26-865 % similar
Isovanillic acid645-08-965 % similar
4-Methyl-m-anisic acid7151-68-065 % similar
3'-Iodo-4'-methoxyacetophenone79324-77-965 % similar
Methyl 3-iodo-4-methoxybenzoate35387-93-063 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.