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251965-88-5 | 2-Butenoic acid, 4-[3,5-bis(phenylmethoxy)phenyl]-2-hydroxy-4-oxo-
CAS No: 251965-88-5 Catalog No: AG002QU5 MDL No:
Product Description
Catalog Number:
AG002QU5
Chemical Name:
2-Butenoic acid, 4-[3,5-bis(phenylmethoxy)phenyl]-2-hydroxy-4-oxo-
CAS Number:
251965-88-5
Molecular Formula:
C24H20O6
Molecular Weight:
404.4120
IUPAC Name:
4-[3,5-bis(phenylmethoxy)phenyl]-4-hydroxy-2-oxobut-3-enoic acid
InChI:
InChI=1S/C24H20O6/c25-22(14-23(26)24(27)28)19-11-20(29-15-17-7-3-1-4-8-17)13-21(12-19)30-16-18-9-5-2-6-10-18/h1-14,25H,15-16H2,(H,27,28)
InChI Key:
DMKPCVNGEXFHKJ-UHFFFAOYSA-N
SMILES:
OC(=O)C(=CC(=O)c1cc(OCc2ccccc2)cc(c1)OCc1ccccc1)O
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.126g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
404.418g/mol
Monoisotopic Mass:
404.126g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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