methyl 6-hydroxy-3-methyl-1-benzothiophene-2-carboxylate

methyl 6-hydroxy-3-methyl-1-benzothiophene-2-carboxylate

CAS: 82788-19-0

Formula: C11H10O3S

SMILES: COC(=O)C1=C(C)C2=CC=C(O)C=C2S1

IUPAC: methyl 6-hydroxy-3-methyl-1-benzothiophene-2-carboxylate

InChI: InChI=1S/C11H10O3S/c1-6-8-4-3-7(12)5-9(8)15-10(6)11(13)14-2/h3-5,12H,1-2H3

Composition: C (59.44%), H (4.54%), O (21.60%), S (14.42%)

Molar Mass: 222.26

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	222.035065356
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JYXLBGHYQHYJGK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.23
Topological Polar Surface Area	46.53
Polarizability	23.3
Ring Count	2
Rotatable Bond Count	2

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