Benzofuran-7-carboxylic acid

C9H6O3CAS 90484-22-3162.14 g/mol

OOHO
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
Irritant (GHS07)

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
90484-22-3
SMILES
C1=CC2=C(C(=C1)C(=O)O)OC=C2
InChIKey
QMHILIQFOBNARN-UHFFFAOYSA-N
InChI
InChI=1S/C9H6O3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11)

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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