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Home > Other Heterocycles > 188825-42-5
188825-42-5 | 3,4-Diazabicyclo[4.1.0]heptane-2,5-dione, 3-methyl-
CAS No: 188825-42-5 Catalog No: AG002HDC MDL No:
Product Description
Catalog Number:
AG002HDC
Chemical Name:
3,4-Diazabicyclo[4.1.0]heptane-2,5-dione, 3-methyl-
CAS Number:
188825-42-5
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
IUPAC Name:
3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
InChI:
InChI=1S/C6H8N2O2/c1-8-6(10)4-2-3(4)5(9)7-8/h3-4H,2H2,1H3,(H,7,9)
InChI Key:
ARHVCUDVPULNTH-UHFFFAOYSA-N
SMILES:
CN1NC(=O)C2C(C1=O)C2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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