1,3-dihydro-2-benzofuran-4-carboxylic acid

1,3-dihydro-2-benzofuran-4-carboxylic acid

CAS: 90560-25-1

Formula: C9H8O3

SMILES: OC(=O)C1=C2COCC2=CC=C1

IUPAC: 1,3-dihydro-2-benzofuran-4-carboxylic acid

InChI: InChI=1S/C9H8O3/c10-9(11)7-3-1-2-6-4-12-5-8(6)7/h1-3H,4-5H2,(H,10,11)

Composition: C (65.85%), H (4.91%), O (29.24%)

Molar Mass: 164.16

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	164.047344118
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QPJIFIXNXUICBK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.44
Topological Polar Surface Area	46.53
Polarizability	16.31
Ring Count	2
Rotatable Bond Count	1

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