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Home > Other Heterocycles > 89542-97-2
89542-97-2 | 2,3-Diazabicyclo[3.2.0]hept-2-en-7-one, 6,6-dimethyl-
CAS No: 89542-97-2 Catalog No: AG003YLL MDL No:
Product Description
Catalog Number:
AG003YLL
Chemical Name:
2,3-Diazabicyclo[3.2.0]hept-2-en-7-one, 6,6-dimethyl-
CAS Number:
89542-97-2
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
IUPAC Name:
6,6-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-en-7-one
InChI:
InChI=1S/C7H10N2O/c1-7(2)4-3-8-9-5(4)6(7)10/h4-5H,3H2,1-2H3
InChI Key:
ZPSROJVTDAKGQH-UHFFFAOYSA-N
SMILES:
O=C1C2N=NCC2C1(C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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