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98432-43-0 | UREA, 1-(3,5-DIMETHYL-4-ISOXAZOLYL)-3-METHYL-
CAS No: 98432-43-0 Catalog No: AG005V1D MDL No:
Product Description
Catalog Number:
AG005V1D
Chemical Name:
UREA, 1-(3,5-DIMETHYL-4-ISOXAZOLYL)-3-METHYL-
CAS Number:
98432-43-0
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
IUPAC Name:
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylurea
InChI:
InChI=1S/C7H11N3O2/c1-4-6(5(2)12-10-4)9-7(11)8-3/h1-3H3,(H2,8,9,11)
InChI Key:
PYOJWYMUHVXMHS-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1c(C)noc1C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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