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

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

CAS: 351358-68-4

Formula: C13H9NO3S

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

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

InChI: InChI=1S/C13H9NO3S/c1-17-9-3-2-7-4-8-5-11(13(15)16)18-12(8)14-10(7)6-9/h2-6H,1H3,(H,15,16)

Composition: C (60.22%), H (3.50%), N (5.40%), O (18.51%), S (12.37%)

Molar Mass: 259.28

Atom Count: 27

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 259.030314328
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FBYCIVDGRKVDGV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.78
Topological Polar Surface Area 59.42
Polarizability 27.31
Ring Count 3
Rotatable Bond Count 2

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