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55807-46-0 | 1-methyl-3-(5-tert-butyloxazol-3-yl)urea
CAS No: 55807-46-0 Catalog No: AG00E6BB MDL No:MFCD24392680
Product Description
Catalog Number:
AG00E6BB
Chemical Name:
1-methyl-3-(5-tert-butyloxazol-3-yl)urea
CAS Number:
55807-46-0
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.2343
MDL Number:
MFCD24392680
IUPAC Name:
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylurea
InChI:
InChI=1S/C9H15N3O2/c1-9(2,3)6-5-7(12-14-6)11-8(13)10-4/h5H,1-4H3,(H2,10,11,12,13)
InChI Key:
GUGLRTKPJBGNAF-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1noc(c1)C(C)(C)C
UNII:
61X13C8620
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.238g/mol
Monoisotopic Mass:
197.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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