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138169-33-2 | Urea, N-(2-oxopropyl)-
CAS No: 138169-33-2 Catalog No: AG001846 MDL No:
Product Description
Catalog Number:
AG001846
Chemical Name:
Urea, N-(2-oxopropyl)-
CAS Number:
138169-33-2
Molecular Formula:
C4H8N2O2
Molecular Weight:
116.1185
IUPAC Name:
2-oxopropylurea
InChI:
InChI=1S/C4H8N2O2/c1-3(7)2-6-4(5)8/h2H2,1H3,(H3,5,6,8)
InChI Key:
VHKYOWIIXUEGFE-UHFFFAOYSA-N
SMILES:
NC(=O)NCC(=O)C
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.059g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
116.12g/mol
Monoisotopic Mass:
116.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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