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147593-96-2 | 2-Oxazoleacetic acid, α-[[3-(carboxymethoxy)phenyl]methyl]-4,5-diphenyl-, 2-ethyl ester
CAS No: 147593-96-2 Catalog No: AG001EZL MDL No:
Product Description
Catalog Number:
AG001EZL
Chemical Name:
2-Oxazoleacetic acid, α-[[3-(carboxymethoxy)phenyl]methyl]-4,5-diphenyl-, 2-ethyl ester
CAS Number:
147593-96-2
Molecular Formula:
C28H25NO6
Molecular Weight:
471.5012
IUPAC Name:
2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-3-ethoxy-3-oxopropyl]phenoxy]acetic acid
InChI:
InChI=1S/C28H25NO6/c1-2-33-28(32)23(17-19-10-9-15-22(16-19)34-18-24(30)31)27-29-25(20-11-5-3-6-12-20)26(35-27)21-13-7-4-8-14-21/h3-16,23H,2,17-18H2,1H3,(H,30,31)
InChI Key:
OJFMMMQYQZJWIZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1nc(c(o1)c1ccccc1)c1ccccc1)Cc1cccc(c1)OCC(=O)O
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.168g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
471.509g/mol
Monoisotopic Mass:
471.168g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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