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123705-52-2 | 2-Oxazoleacetic acid, 4,5-diphenyl-, methyl ester
CAS No: 123705-52-2 Catalog No: AG000KYQ MDL No:
Product Description
Catalog Number:
AG000KYQ
Chemical Name:
2-Oxazoleacetic acid, 4,5-diphenyl-, methyl ester
CAS Number:
123705-52-2
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
IUPAC Name:
methyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
InChI:
InChI=1S/C18H15NO3/c1-21-16(20)12-15-19-17(13-8-4-2-5-9-13)18(22-15)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChI Key:
UOZJXXIACLBFDV-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1nc(c(o1)c1ccccc1)c1ccccc1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.322g/mol
Monoisotopic Mass:
293.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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