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76680-64-3 | Propanenitrile, 3-[(1-hydroperoxy-1-methylethyl)azo]-2-methyl-
CAS No: 76680-64-3 Catalog No: AG005J4P MDL No:
Product Description
Catalog Number:
AG005J4P
Chemical Name:
Propanenitrile, 3-[(1-hydroperoxy-1-methylethyl)azo]-2-methyl-
CAS Number:
76680-64-3
Molecular Formula:
C7H13N3O2
Molecular Weight:
171.1970
IUPAC Name:
3-(2-hydroperoxypropan-2-yldiazenyl)-2-methylpropanenitrile
InChI:
InChI=1S/C7H13N3O2/c1-6(4-8)5-9-10-7(2,3)12-11/h6,11H,5H2,1-3H3
InChI Key:
AGMACPJXPIGZNI-UHFFFAOYSA-N
SMILES:
N#CC(CN=NC(OO)(C)C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.2g/mol
Monoisotopic Mass:
171.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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