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91101-17-6 | Urea, N'-[5-(1,1-dimethylethyl)-3-isoxazolyl]N-(hydroxymethyl)-N-methyl-
CAS No: 91101-17-6 Catalog No: AG006R1A MDL No:
Product Description
Catalog Number:
AG006R1A
Chemical Name:
Urea, N'-[5-(1,1-dimethylethyl)-3-isoxazolyl]N-(hydroxymethyl)-N-methyl-
CAS Number:
91101-17-6
Molecular Formula:
C10H17N3O3
Molecular Weight:
227.2603
IUPAC Name:
3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(hydroxymethyl)-1-methylurea
InChI:
InChI=1S/C10H17N3O3/c1-10(2,3)7-5-8(12-16-7)11-9(15)13(4)6-14/h5,14H,6H2,1-4H3,(H,11,12,15)
InChI Key:
TWDHFOBTMBGHRA-UHFFFAOYSA-N
SMILES:
OCN(C(=O)Nc1noc(c1)C(C)(C)C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.264g/mol
Monoisotopic Mass:
227.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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