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117081-10-4 | Thieno[3,2-g]quinoline-6-carboxylic acid, 8-ethyl-5,8-dihydro-5-oxo-
CAS No: 117081-10-4 Catalog No: AG000DOS MDL No:
Product Description
Catalog Number:
AG000DOS
Chemical Name:
Thieno[3,2-g]quinoline-6-carboxylic acid, 8-ethyl-5,8-dihydro-5-oxo-
CAS Number:
117081-10-4
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
IUPAC Name:
8-ethyl-5-oxothieno[3,2-g]quinoline-6-carboxylic acid
InChI:
InChI=1S/C14H11NO3S/c1-2-15-7-10(14(17)18)13(16)9-5-8-3-4-19-12(8)6-11(9)15/h3-7H,2H2,1H3,(H,17,18)
InChI Key:
KYJNXHIFVPXNIU-UHFFFAOYSA-N
SMILES:
CCn1cc(C(=O)O)c(=O)c2c1cc1sccc1c2
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.306g/mol
Monoisotopic Mass:
273.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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