4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carboxylic acid

4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carboxylic acid

CAS: 40133-08-2

Formula: C10H12O2S

SMILES: OC(=O)C1=CC2=C(CCCCC2)S1

IUPAC: 4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carboxylic acid

InChI: InChI=1S/C10H12O2S/c11-10(12)9-6-7-4-2-1-3-5-8(7)13-9/h6H,1-5H2,(H,11,12)

Composition: C (61.20%), H (6.16%), O (16.30%), S (16.34%)

Molar Mass: 196.26

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	196.0558008
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FUUKNDGHOIUHLN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.23
Topological Polar Surface Area	37.3
Polarizability	19.68
Ring Count	2
Rotatable Bond Count	1

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