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6947-77-9 | 5,7-Diazaspiro[2.5]octane-4,6,8-trione
CAS No: 6947-77-9 Catalog No: AG005L75 MDL No:
Product Description
Catalog Number:
AG005L75
Chemical Name:
5,7-Diazaspiro[2.5]octane-4,6,8-trione
CAS Number:
6947-77-9
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
IUPAC Name:
5,7-diazaspiro[2.5]octane-4,6,8-trione
InChI:
InChI=1S/C6H6N2O3/c9-3-6(1-2-6)4(10)8-5(11)7-3/h1-2H2,(H2,7,8,9,10,11)
InChI Key:
PQVZDTWRGIHYCU-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)NC(=O)C21CC2
UNII:
JNQ0H65BGF
NSC Number:
56148
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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