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1197564-41-2 | 1-(5-methyl-1,2-oxazol-3-yl)-3-(prop-2-yn-1-yl)urea
CAS No: 1197564-41-2 Catalog No: AG019WQI MDL No:MFCD12913169
Product Description
Catalog Number:
AG019WQI
Chemical Name:
1-(5-methyl-1,2-oxazol-3-yl)-3-(prop-2-yn-1-yl)urea
CAS Number:
1197564-41-2
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
MDL Number:
MFCD12913169
IUPAC Name:
1-(5-methyl-1,2-oxazol-3-yl)-3-prop-2-ynylurea
InChI:
InChI=1S/C8H9N3O2/c1-3-4-9-8(12)10-7-5-6(2)13-11-7/h1,5H,4H2,2H3,(H2,9,10,11,12)
InChI Key:
SCGNVNOOYGDAKN-UHFFFAOYSA-N
SMILES:
Cc1cc(no1)NC(=O)NCC#C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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