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2-acetamidothiophene-3-carboxylic acid

2-acetamidothiophene-3-carboxylic acid

CAS: 51419-38-6

Formula: C7H7NO3S

SMILES: CC(=O)NC1=C(C=CS1)C(O)=O

IUPAC: 2-acetamidothiophene-3-carboxylic acid

InChI: InChI=1S/C7H7NO3S/c1-4(9)8-6-5(7(10)11)2-3-12-6/h2-3H,1H3,(H,8,9)(H,10,11)

Composition: C (45.40%), H (3.81%), N (7.56%), O (25.92%), S (17.31%)

Molar Mass: 185.2

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 185.014664263
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RCEBHKDQZCVBTC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.44
Topological Polar Surface Area 66.4
Polarizability 16.37
Ring Count 1
Rotatable Bond Count 2

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95% <2 Days 51419-38-6 $51.35-$374.73$51.35$63.37$86.31$374.73
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