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Home > Other Heterocycles > 72323-50-3
72323-50-3 | 7,8-dimethyl-2,4-diazabicyclo[4.2.0]oct-7-ene-3,5-dione
CAS No: 72323-50-3 Catalog No: AG0067OD MDL No:
Product Description
Catalog Number:
AG0067OD
Chemical Name:
7,8-dimethyl-2,4-diazabicyclo[4.2.0]oct-7-ene-3,5-dione
CAS Number:
72323-50-3
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
7,8-dimethyl-2,4-diazabicyclo[4.2.0]oct-7-ene-3,5-dione
InChI:
InChI=1S/C8H10N2O2/c1-3-4(2)6-5(3)7(11)10-8(12)9-6/h5-6H,1-2H3,(H2,9,10,11,12)
InChI Key:
VOECLLZEZABSKA-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2C(N1)C(=C2C)C
NSC Number:
355348
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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