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27152-09-6 | 2-oxo-1H,2H,5H,7H,8H-pyrano[4,3-b]pyridine-3-carbonitrile
CAS No: 27152-09-6 Catalog No: AG01AAY2 MDL No:MFCD16070469
Product Description
Catalog Number:
AG01AAY2
Chemical Name:
2-oxo-1H,2H,5H,7H,8H-pyrano[4,3-b]pyridine-3-carbonitrile
CAS Number:
27152-09-6
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD16070469
IUPAC Name:
2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C9H8N2O2/c10-4-6-3-7-5-13-2-1-8(7)11-9(6)12/h3H,1-2,5H2,(H,11,12)
InChI Key:
ANUXNMLPHPOUMD-UHFFFAOYSA-N
SMILES:
N#Cc1cc2COCCc2[nH]c1=O
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:
-0.6
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