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76843-12-4 | Oxazole, 2-ethyl-4-methyl-5-phenyl-
CAS No: 76843-12-4 Catalog No: AG005S43 MDL No:
Product Description
Catalog Number:
AG005S43
Chemical Name:
Oxazole, 2-ethyl-4-methyl-5-phenyl-
CAS Number:
76843-12-4
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
2-ethyl-4-methyl-5-phenyl-1,3-oxazole
InChI:
InChI=1S/C12H13NO/c1-3-11-13-9(2)12(14-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChI Key:
GTYRTACUORCSPA-UHFFFAOYSA-N
SMILES:
CCc1nc(c(o1)c1ccccc1)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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