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129660-12-4 | 2H-Pyran-5-carbonitrile, 2-oxo-
CAS No: 129660-12-4 Catalog No: AG000ZA4 MDL No:MFCD22412347
Product Description
Catalog Number:
AG000ZA4
Chemical Name:
2H-Pyran-5-carbonitrile, 2-oxo-
CAS Number:
129660-12-4
Molecular Formula:
C6H3NO2
Molecular Weight:
121.0935
MDL Number:
MFCD22412347
IUPAC Name:
6-oxopyran-3-carbonitrile
InChI:
InChI=1S/C6H3NO2/c7-3-5-1-2-6(8)9-4-5/h1-2,4H
InChI Key:
BSKONEMTLKHESY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(=O)oc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.016g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.095g/mol
Monoisotopic Mass:
121.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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