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1258651-15-8 | 2-oxo-6-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No: 1258651-15-8 Catalog No: AG01AAWX MDL No:MFCD16437734
Product Description
Catalog Number:
AG01AAWX
Chemical Name:
2-oxo-6-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
1258651-15-8
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
MDL Number:
MFCD16437734
IUPAC Name:
2-oxo-6-phenyl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C16H14N2O/c17-10-14-9-13-8-12(11-4-2-1-3-5-11)6-7-15(13)18-16(14)19/h1-5,9,12H,6-8H2,(H,18,19)
InChI Key:
DSRINXYIXGEMTH-UHFFFAOYSA-N
SMILES:
N#Cc1cc2CC(CCc2[nH]c1=O)c1ccccc1
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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