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99976-98-4 | 5-(HEPTAN-3-YL)IMIDAZOLIDINE-2,4-DIONE
CAS No: 99976-98-4 Catalog No: AG01DMHV MDL No:MFCD20728020
Product Description
Catalog Number:
AG01DMHV
Chemical Name:
5-(HEPTAN-3-YL)IMIDAZOLIDINE-2,4-DIONE
CAS Number:
99976-98-4
Molecular Formula:
C10H18N2O2
Molecular Weight:
198.2621
MDL Number:
MFCD20728020
IUPAC Name:
5-heptan-3-ylimidazolidine-2,4-dione
InChI:
InChI=1S/C10H18N2O2/c1-3-5-6-7(4-2)8-9(13)12-10(14)11-8/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14)
InChI Key:
PYBXKONSLVMNPE-UHFFFAOYSA-N
SMILES:
CCCCC(C1NC(=O)NC1=O)CC
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.137g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.266g/mol
Monoisotopic Mass:
198.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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