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144254-17-1 | 5-Hexenenitrile, 2-methyl-, N-oxide
CAS No: 144254-17-1 Catalog No: AG001J6W MDL No:
Product Description
Catalog Number:
AG001J6W
Chemical Name:
5-Hexenenitrile, 2-methyl-, N-oxide
CAS Number:
144254-17-1
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
IUPAC Name:
2-methylhex-5-enenitrile oxide
InChI:
InChI=1S/C7H11NO/c1-3-4-5-7(2)6-8-9/h3,7H,1,4-5H2,2H3
InChI Key:
BIYOAZYRUZUUMD-UHFFFAOYSA-N
SMILES:
[O-][N+]#CC(CCC=C)C
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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