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Home > Other Heterocycles > 89176-12-5
89176-12-5 | 1,3,4-Triazabicyclo[4.1.0]heptan-5-one, 2,2-dimethyl-
CAS No: 89176-12-5 Catalog No: AG003WA2 MDL No:
Product Description
Catalog Number:
AG003WA2
Chemical Name:
1,3,4-Triazabicyclo[4.1.0]heptan-5-one, 2,2-dimethyl-
CAS Number:
89176-12-5
Molecular Formula:
C6H11N3O
Molecular Weight:
141.1710
IUPAC Name:
2,2-dimethyl-1,3,4-triazabicyclo[4.1.0]heptan-5-one
InChI:
InChI=1S/C6H11N3O/c1-6(2)8-7-5(10)4-3-9(4)6/h4,8H,3H2,1-2H3,(H,7,10)
InChI Key:
JNEZEEARNLPVJD-UHFFFAOYSA-N
SMILES:
O=C1NNC(N2C1C2)(C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
141.174g/mol
Monoisotopic Mass:
141.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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