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3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxylic acid

3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxylic acid

CAS: 462068-01-5

Formula: C13H10N2O3S

SMILES: COC1=CC=C2C=C3C(N)=C(SC3=NC2=C1)C(O)=O

IUPAC: 3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxylic acid

InChI: InChI=1S/C13H10N2O3S/c1-18-7-3-2-6-4-8-10(14)11(13(16)17)19-12(8)15-9(6)5-7/h2-5H,14H2,1H3,(H,16,17)

Composition: C (56.93%), H (3.67%), N (10.21%), O (17.50%), S (11.69%)

Molar Mass: 274.29

Atom Count: 29

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 274.041213364
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey PUIPQJNSZCRUCB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.48
Topological Polar Surface Area 85.44
Polarizability 28.43
Ring Count 3
Rotatable Bond Count 2

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95% <2 Days 462068-01-5 $404.27$404.27
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