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2-benzamido-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylic acid

2-benzamido-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylic acid

CAS: 307341-55-5

Formula: C15H13NO3S

SMILES: OC(=O)C1=C(NC(=O)C2=CC=CC=C2)SC2=C1CCC2

IUPAC: 2-benzamido-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylic acid

InChI: InChI=1S/C15H13NO3S/c17-13(9-5-2-1-3-6-9)16-14-12(15(18)19)10-7-4-8-11(10)20-14/h1-3,5-6H,4,7-8H2,(H,16,17)(H,18,19)

Composition: C (62.70%), H (4.56%), N (4.87%), O (16.70%), S (11.16%)

Molar Mass: 287.33

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 287.061614457
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JEEWRTJYBDZVBA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.93
Topological Polar Surface Area 66.4
Polarizability 28.61
Ring Count 3
Rotatable Bond Count 3

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95% <10 Days 307341-55-5 $162.27-$602.14$162.27$279.57$602.14
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