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Home > Other Heterocycles > 89185-15-9
89185-15-9 | 2,4-Diazabicyclo[4.1.0]hept-2-en-5-one, 4-methyl-
CAS No: 89185-15-9 Catalog No: AG003W9G MDL No:
Product Description
Catalog Number:
AG003W9G
Chemical Name:
2,4-Diazabicyclo[4.1.0]hept-2-en-5-one, 4-methyl-
CAS Number:
89185-15-9
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
IUPAC Name:
4-methyl-2,4-diazabicyclo[4.1.0]hept-2-en-5-one
InChI:
InChI=1S/C6H8N2O/c1-8-3-7-5-2-4(5)6(8)9/h3-5H,2H2,1H3
InChI Key:
AOWKKHRQTVPHMD-UHFFFAOYSA-N
SMILES:
CN1C=NC2C(C1=O)C2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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