5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid

5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid

CAS: 81718-77-6

Formula: C11H10O4

SMILES: COC1=CC=C2OC(C(O)=O)=C(C)C2=C1

IUPAC: 5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid

InChI: InChI=1S/C11H10O4/c1-6-8-5-7(14-2)3-4-9(8)15-10(6)11(12)13/h3-5H,1-2H3,(H,12,13)

Composition: C (64.08%), H (4.89%), O (31.04%)

Molar Mass: 206.197

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	206.057908802
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BKOHXOOAJNTFCM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.54
Topological Polar Surface Area	59.67
Polarizability	21.33
Ring Count	2
Rotatable Bond Count	2

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