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Home > Other Heterocycles > 1273562-72-3
1273562-72-3 | 2-Oxo-3,6-diaza-bicyclo[3.1.1]heptane
CAS No: 1273562-72-3 Catalog No: AG00HROD MDL No:MFCD18793392
Product Description
Catalog Number:
AG00HROD
Chemical Name:
2-Oxo-3,6-diaza-bicyclo[3.1.1]heptane
CAS Number:
1273562-72-3
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD18793392
IUPAC Name:
3,6-diazabicyclo[3.1.1]heptan-2-one
InChI:
InChI=1S/C5H8N2O/c8-5-4-1-3(7-4)2-6-5/h3-4,7H,1-2H2,(H,6,8)
InChI Key:
KFALVBFQCROPPJ-UHFFFAOYSA-N
SMILES:
O=C1NCC2CC1N2
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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