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136451-54-2 | 2-Oxazolenonanoic acid, 4,5-diphenyl-
CAS No: 136451-54-2 Catalog No: AG0011VW MDL No:
Product Description
Catalog Number:
AG0011VW
Chemical Name:
2-Oxazolenonanoic acid, 4,5-diphenyl-
CAS Number:
136451-54-2
Molecular Formula:
C24H27NO3
Molecular Weight:
377.4761
IUPAC Name:
9-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid
InChI:
InChI=1S/C24H27NO3/c26-22(27)18-12-4-2-1-3-11-17-21-25-23(19-13-7-5-8-14-19)24(28-21)20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2,(H,26,27)
InChI Key:
KIPBLPMQCQBXLN-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCc1nc(c(o1)c1ccccc1)c1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.199g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.484g/mol
Monoisotopic Mass:
377.199g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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