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88374-01-0 | 4-Oxazolecarboxylic acid, 2,2'-(1,4-phenylene)bis[5-phenyl-
CAS No: 88374-01-0 Catalog No: AG004MA8 MDL No:
Product Description
Catalog Number:
AG004MA8
Chemical Name:
4-Oxazolecarboxylic acid, 2,2'-(1,4-phenylene)bis[5-phenyl-
CAS Number:
88374-01-0
Molecular Formula:
C26H16N2O6
Molecular Weight:
452.4150
IUPAC Name:
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C26H16N2O6/c29-25(30)19-21(15-7-3-1-4-8-15)33-23(27-19)17-11-13-18(14-12-17)24-28-20(26(31)32)22(34-24)16-9-5-2-6-10-16/h1-14H,(H,29,30)(H,31,32)
InChI Key:
IJDWDFDTPCSKEF-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(oc1c1ccccc1)c1ccc(cc1)c1nc(c(o1)c1ccccc1)C(=O)O
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.101g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
452.422g/mol
Monoisotopic Mass:
452.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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