1-Benzofuran-6-carboxylic acid
Properties
- Molecular formula
- C9H6O3
- Molar mass
- 162.14 g/mol
- Exact mass
- 162.0317 Da
- logP
- 2.13Crippen estimate
- Polar surface area
- 50.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed66.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
77095-51-3SMILES
C1=CC(=CC2=C1C=CO2)C(=O)OInChIKey
RVDHGRQELZPGCO-UHFFFAOYSA-NInChI
InChI=1S/C9H6O3/c10-9(11)7-2-1-6-3-4-12-8(6)5-7/h1-5H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzofuran-6-carboxylic acid
Work with 1-Benzofuran-6-carboxylic acid
Similar compounds
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6-Hydroxy-2-naphthoic acid16712-64-450 % similar
6-Amino-2-naphthoic acid116668-47-449 % similar
6-Fluoro-2-naphthoic acid5043-01-649 % similar
6-Bromo-2-naphthalenecarboxylic acid5773-80-849 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds