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175988-86-0 | 3-Quinolinecarbonitrile, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-oxo-
CAS No: 175988-86-0 Catalog No: AG0021BX MDL No:
Product Description
Catalog Number:
AG0021BX
Chemical Name:
3-Quinolinecarbonitrile, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-oxo-
CAS Number:
175988-86-0
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
IUPAC Name:
6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C12H12N2O3/c1-16-10-4-7-3-8(6-13)12(15)14-9(7)5-11(10)17-2/h4-5,8H,3H2,1-2H3,(H,14,15)
InChI Key:
PGTCFDLDCWVJQH-UHFFFAOYSA-N
SMILES:
N#CC1Cc2cc(OC)c(cc2NC1=O)OC
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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