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4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid

4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid

CAS: 40133-09-3

Formula: C11H14O2S

SMILES: OC(=O)C1=CC2=C(CCCCCC2)S1

IUPAC: 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid

InChI: InChI=1S/C11H14O2S/c12-11(13)10-7-8-5-3-1-2-4-6-9(8)14-10/h7H,1-6H2,(H,12,13)

Composition: C (62.83%), H (6.71%), O (15.22%), S (15.25%)

Molar Mass: 210.29

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 210.071450865
Formal Charge 0
FSP3 0.55
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XKWUEZYMRWQSOI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.83
Topological Polar Surface Area 37.3
Polarizability 21.51
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 40133-09-3 $309.09-$361.49$309.09$361.49
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