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81867-12-1 | 2(1H)-Azocinone, 3-azidohexahydro-
CAS No: 81867-12-1 Catalog No: AG005H0S MDL No:
Product Description
Catalog Number:
AG005H0S
Chemical Name:
2(1H)-Azocinone, 3-azidohexahydro-
CAS Number:
81867-12-1
Molecular Formula:
C7H12N4O
Molecular Weight:
168.1964
IUPAC Name:
3-azidoazocan-2-one
InChI:
InChI=1S/C7H12N4O/c8-11-10-6-4-2-1-3-5-9-7(6)12/h6H,1-5H2,(H,9,12)
InChI Key:
XAJUMZWRGXACJP-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC1CCCCCNC1=O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.2g/mol
Monoisotopic Mass:
168.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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