5,6-dimethoxy-1-benzothiophene-2-carboxylic acid

5,6-dimethoxy-1-benzothiophene-2-carboxylic acid

CAS: 23046-03-9

Formula: C11H10O4S

SMILES: COC1=C(OC)C=C2C=C(SC2=C1)C(O)=O

IUPAC: 5,6-dimethoxy-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C11H10O4S/c1-14-7-3-6-4-10(11(12)13)16-9(6)5-8(7)15-2/h3-5H,1-2H3,(H,12,13)

Composition: C (55.45%), H (4.23%), O (26.86%), S (13.46%)

Molar Mass: 238.26

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	238.029979976
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LIZUZUKHOVUSNS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.36
Topological Polar Surface Area	55.76
Polarizability	23.9
Ring Count	2
Rotatable Bond Count	3

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