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40408-40-0 | 1-BUTYLIMIDAZOLIDINE-2,4,5-TRIONE
CAS No: 40408-40-0 Catalog No: AG00CSSG MDL No:MFCD04635925
Product Description
Catalog Number:
AG00CSSG
Chemical Name:
1-BUTYLIMIDAZOLIDINE-2,4,5-TRIONE
CAS Number:
40408-40-0
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
MDL Number:
MFCD04635925
IUPAC Name:
1-butylimidazolidine-2,4,5-trione
InChI:
InChI=1S/C7H10N2O3/c1-2-3-4-9-6(11)5(10)8-7(9)12/h2-4H2,1H3,(H,8,10,12)
InChI Key:
CQGYXJXFUKOOHY-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)NC(=O)C1=O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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