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88745-35-1 | 2H-Cyclopenta[c]pyridine-4-carbonitrile, 3,5,6,7-tetrahydro-3-oxo-
CAS No: 88745-35-1 Catalog No: AG008BPC MDL No:MFCD13179035
Product Description
Catalog Number:
AG008BPC
Chemical Name:
2H-Cyclopenta[c]pyridine-4-carbonitrile, 3,5,6,7-tetrahydro-3-oxo-
CAS Number:
88745-35-1
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD13179035
IUPAC Name:
3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carbonitrile
InChI:
InChI=1S/C9H8N2O/c10-4-8-7-3-1-2-6(7)5-11-9(8)12/h5H,1-3H2,(H,11,12)
InChI Key:
NJOAFTZTUXUNGW-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]cc2c1CCC2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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