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Home > Quinoline > 903557-01-7
903557-01-7 | 2-Oxo-1,2,3,4-tetrahydroquinoline-7-carbonitrile
CAS No: 903557-01-7 Catalog No: AG006FEJ MDL No:MFCD13179386
Product Description
Catalog Number:
AG006FEJ
Chemical Name:
2-Oxo-1,2,3,4-tetrahydroquinoline-7-carbonitrile
CAS Number:
903557-01-7
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD13179386
IUPAC Name:
2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile
InChI:
InChI=1S/C10H8N2O/c11-6-7-1-2-8-3-4-10(13)12-9(8)5-7/h1-2,5H,3-4H2,(H,12,13)
InChI Key:
LGEXBNZXXJFYEB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)NC(=O)CC2
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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