2-methylfuran-3-carboxylic acid

2-methylfuran-3-carboxylic acid

CAS: 6947-94-0

Formula: C6H6O3

SMILES: CC1=C(C=CO1)C(O)=O

IUPAC: 2-methylfuran-3-carboxylic acid

InChI: InChI=1S/C6H6O3/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)

Composition: C (57.14%), H (4.80%), O (38.06%)

Molar Mass: 126.111

Atom Count: 15

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	126.031694053
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CFGQZVOVFIZRMN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	30.98
Topological Polar Surface Area	50.44
Polarizability	11.39
Ring Count	1
Rotatable Bond Count	1

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