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86556-85-6 | 2-Pentenenitrile, 4-oxo-
CAS No: 86556-85-6 Catalog No: AG004ULC MDL No:
Product Description
Catalog Number:
AG004ULC
Chemical Name:
2-Pentenenitrile, 4-oxo-
CAS Number:
86556-85-6
Molecular Formula:
C5H5NO
Molecular Weight:
95.0993
IUPAC Name:
4-oxopent-2-enenitrile
InChI:
InChI=1S/C5H5NO/c1-5(7)3-2-4-6/h2-3H,1H3
InChI Key:
NNKSQQOADOOAKK-UHFFFAOYSA-N
SMILES:
N#CC=CC(=O)C
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.037g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
95.101g/mol
Monoisotopic Mass:
95.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.1
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