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87633-25-8 | Pentanenitrile, 2-diazo-4,4-dimethyl-3-oxo-
CAS No: 87633-25-8 Catalog No: AG004HVI MDL No:
Product Description
Catalog Number:
AG004HVI
Chemical Name:
Pentanenitrile, 2-diazo-4,4-dimethyl-3-oxo-
CAS Number:
87633-25-8
Molecular Formula:
C7H9N3O
Molecular Weight:
151.1659
IUPAC Name:
2-diazo-4,4-dimethyl-3-oxopentanenitrile
InChI:
InChI=1S/C7H9N3O/c1-7(2,3)6(11)5(4-8)10-9/h1-3H3
InChI Key:
YEURBDPPTICZBM-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(C(=O)C(C)(C)C)C#N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.169g/mol
Monoisotopic Mass:
151.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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