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161892-92-8 | 2-Cyclohexen-1-one, 2-azido-
CAS No: 161892-92-8 Catalog No: AG001VYN MDL No:
Product Description
Catalog Number:
AG001VYN
Chemical Name:
2-Cyclohexen-1-one, 2-azido-
CAS Number:
161892-92-8
Molecular Formula:
C6H7N3O
Molecular Weight:
137.1393
IUPAC Name:
2-azidocyclohex-2-en-1-one
InChI:
InChI=1S/C6H7N3O/c7-9-8-5-3-1-2-4-6(5)10/h3H,1-2,4H2
InChI Key:
JGAPLVDZTGUZTH-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC1=CCCCC1=O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.142g/mol
Monoisotopic Mass:
137.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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