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93953-43-6 | 2-Pentenoic acid, 5-(4,5-diphenyl-2-oxazolyl)-, methyl ester, (E)-
CAS No: 93953-43-6 Catalog No: AG005XA2 MDL No:
Product Description
Catalog Number:
AG005XA2
Chemical Name:
2-Pentenoic acid, 5-(4,5-diphenyl-2-oxazolyl)-, methyl ester, (E)-
CAS Number:
93953-43-6
Molecular Formula:
C21H19NO3
Molecular Weight:
333.3805
IUPAC Name:
methyl 5-(4,5-diphenyl-1,3-oxazol-2-yl)pent-2-enoate
InChI:
InChI=1S/C21H19NO3/c1-24-19(23)15-9-8-14-18-22-20(16-10-4-2-5-11-16)21(25-18)17-12-6-3-7-13-17/h2-7,9-13,15H,8,14H2,1H3
InChI Key:
NTSUIPAPBSRPJJ-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/CCc1nc(c(o1)c1ccccc1)c1ccccc1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.136g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.387g/mol
Monoisotopic Mass:
333.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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