1-oxo-3H-2-benzofuran-5-carboxylic acid

CAS: 4792-29-4

Molecular Formula	`C9H6O4`
Molecular Weight	178.14 g/mol
LogP	0.3
Topological Polar Surface Area	63.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	178.02661
Heavy Atoms	13
Complexity	248.0

Chemical Identifiers

CAS Number	4792-29-4
SMILES	`C1C2=C(C=CC(=C2)C(=O)O)C(=O)O1`
InChIKey	`QTWUWCFGWYYRRL-UHFFFAOYSA-N`

📖 Product Overview

1-oxo-3H-2-benzofuran-5-carboxylic acid (CAS: 4792-29-4) is a chemical compound with molecular formula C9H6O4 and molecular weight 178.14 g/mol. Its IUPAC systematic name is 1-oxo-3H-2-benzofuran-5-carboxylic acid. LogP 0.3 Topological Polar Surface Area 63.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 178.02661 Heavy Atoms 13 Complexity 248.0 InChI Key: QTWUWCFGWYYRRL-UHFFFAOYSA-N. SMILES: C1C2=C(C=CC(=C2)C(=O)O)C(=O)O1.

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