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Home > Other Heterocycles > 86421-71-8
86421-71-8 | 2,6-Diazabicyclo[2.2.0]hex-5-en-3-one, 2,5-dimethyl-
CAS No: 86421-71-8 Catalog No: AG004R6F MDL No:
Product Description
Catalog Number:
AG004R6F
Chemical Name:
2,6-Diazabicyclo[2.2.0]hex-5-en-3-one, 2,5-dimethyl-
CAS Number:
86421-71-8
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
IUPAC Name:
2,5-dimethyl-2,6-diazabicyclo[2.2.0]hex-5-en-3-one
InChI:
InChI=1S/C6H8N2O/c1-3-4-5(7-3)8(2)6(4)9/h4-5H,1-2H3
InChI Key:
IXPBAWBBKYBJJY-UHFFFAOYSA-N
SMILES:
CC1=NC2C1C(=O)N2C
Properties
Complexity:
209
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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