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86860-68-6 | Urea, (5-(2-hydroxy-1,1-dimethylethyl)-3-isoxazolyl)-
CAS No: 86860-68-6 Catalog No: AG004IPX MDL No:
Product Description
Catalog Number:
AG004IPX
Chemical Name:
Urea, (5-(2-hydroxy-1,1-dimethylethyl)-3-isoxazolyl)-
CAS Number:
86860-68-6
Molecular Formula:
C8H13N3O3
Molecular Weight:
199.2071
IUPAC Name:
[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
InChI:
InChI=1S/C8H13N3O3/c1-8(2,4-12)5-3-6(11-14-5)10-7(9)13/h3,12H,4H2,1-2H3,(H3,9,10,11,13)
InChI Key:
FUVSTTQMUPAZON-UHFFFAOYSA-N
SMILES:
OCC(c1onc(c1)NC(=O)N)(C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.21g/mol
Monoisotopic Mass:
199.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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