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88696-58-6 | 2H-Pyrano[3,2-c]pyridine-8-carbonitrile, 3,4,6,7-tetrahydro-7-oxo-
CAS No: 88696-58-6 Catalog No: AG0046LT MDL No:
Product Description
Catalog Number:
AG0046LT
Chemical Name:
2H-Pyrano[3,2-c]pyridine-8-carbonitrile, 3,4,6,7-tetrahydro-7-oxo-
CAS Number:
88696-58-6
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
7-oxo-2,3,4,6-tetrahydropyrano[3,2-c]pyridine-8-carbonitrile
InChI:
InChI=1S/C9H8N2O2/c10-4-7-8-6(2-1-3-13-8)5-11-9(7)12/h5H,1-3H2,(H,11,12)
InChI Key:
WSSPCGPMHJYJCB-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]cc2c1OCCC2
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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