5-methyl-1-benzofuran-2-carboxylic acid

5-methyl-1-benzofuran-2-carboxylic acid

CAS: 10242-09-8

Formula: C10H8O3

SMILES: CC1=CC=C2OC(=CC2=C1)C(O)=O

IUPAC: 5-methyl-1-benzofuran-2-carboxylic acid

InChI: InChI=1S/C10H8O3/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5H,1H3,(H,11,12)

Composition: C (68.18%), H (4.58%), O (27.24%)

Molar Mass: 176.171

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	176.047344118
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RNTYTQILDXWFLQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.07
Topological Polar Surface Area	50.44
Polarizability	18.8
Ring Count	2
Rotatable Bond Count	1

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