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89080-96-6 | 2(1H)-Quinolinone, 4-methoxy-3-(3-thienyl)-
CAS No: 89080-96-6 Catalog No: AG00879Q MDL No:
Product Description
Catalog Number:
AG00879Q
Chemical Name:
2(1H)-Quinolinone, 4-methoxy-3-(3-thienyl)-
CAS Number:
89080-96-6
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
IUPAC Name:
4-methoxy-3-thiophen-3-yl-1H-quinolin-2-one
InChI:
InChI=1S/C14H11NO2S/c1-17-13-10-4-2-3-5-11(10)15-14(16)12(13)9-6-7-18-8-9/h2-8H,1H3,(H,15,16)
InChI Key:
JXOFOYVLOYWEDG-UHFFFAOYSA-N
SMILES:
COc1c(c2cscc2)c(=O)[nH]c2c1cccc2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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