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Home > Quinoline > 1400683-18-2
1400683-18-2 | 8-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS No: 1400683-18-2 Catalog No: AG01BG0V MDL No:MFCD24698287
Product Description
Catalog Number:
AG01BG0V
Chemical Name:
8-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS Number:
1400683-18-2
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD24698287
IUPAC Name:
8-oxo-6,7-dihydro-5H-quinoline-3-carbonitrile
InChI:
InChI=1S/C10H8N2O/c11-5-7-4-8-2-1-3-9(13)10(8)12-6-7/h4,6H,1-3H2
InChI Key:
WGTJAMHKBUZARV-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1)CCCC2=O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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