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Home > Other Heterocycles > 188825-43-6
188825-43-6 | 3,4-Diazabicyclo[4.1.0]heptane-2,5-dione, 3,7,7-trimethyl-
CAS No: 188825-43-6 Catalog No: AG002HDB MDL No:
Product Description
Catalog Number:
AG002HDB
Chemical Name:
3,4-Diazabicyclo[4.1.0]heptane-2,5-dione, 3,7,7-trimethyl-
CAS Number:
188825-43-6
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
InChI:
InChI=1S/C8H12N2O2/c1-8(2)4-5(8)7(12)10(3)9-6(4)11/h4-5H,1-3H3,(H,9,11)
InChI Key:
FKOMPZBIVCSMJG-UHFFFAOYSA-N
SMILES:
CN1NC(=O)C2C(C1=O)C2(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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