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Home > Other Heterocycles > 99420-34-5
99420-34-5 | 4,6-diazaspiro[2.4]heptane-5,7-dione
CAS No: 99420-34-5 Catalog No: AG01DWXY MDL No:MFCD00047036
Product Description
Catalog Number:
AG01DWXY
Chemical Name:
4,6-diazaspiro[2.4]heptane-5,7-dione
CAS Number:
99420-34-5
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD00047036
IUPAC Name:
4,6-diazaspiro[2.4]heptane-5,7-dione
InChI:
InChI=1S/C5H6N2O2/c8-3-5(1-2-5)7-4(9)6-3/h1-2H2,(H2,6,7,8,9)
InChI Key:
QAQQTTKVAOJNMN-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2(N1)CC2
NSC Number:
98431
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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