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10223-93-5 | 1,3-Cyclohexanedicarboxylic acid, 2-(4-hydroxyphenyl)-4,6-dioxo-5-[(phenylamino)carbonyl]-, 1,3-diethyl ester
CAS No: 10223-93-5 Catalog No: AG0006ZM MDL No:
Product Description
Catalog Number:
AG0006ZM
Chemical Name:
1,3-Cyclohexanedicarboxylic acid, 2-(4-hydroxyphenyl)-4,6-dioxo-5-[(phenylamino)carbonyl]-, 1,3-diethyl ester
CAS Number:
10223-93-5
Molecular Formula:
C25H25NO8
Molecular Weight:
467.4679
IUPAC Name:
diethyl 2-(4-hydroxyphenyl)-4,6-dioxo-5-(phenylcarbamoyl)cyclohexane-1,3-dicarboxylate
InChI:
InChI=1S/C25H25NO8/c1-3-33-24(31)18-17(14-10-12-16(27)13-11-14)19(25(32)34-4-2)22(29)20(21(18)28)23(30)26-15-8-6-5-7-9-15/h5-13,17-20,27H,3-4H2,1-2H3,(H,26,30)
InChI Key:
UTZZQGXKFPLKAN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(=O)C(C(=O)Nc2ccccc2)C(=O)C(C1c1ccc(cc1)O)C(=O)OCC
Properties
Complexity:
744
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.158g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
467.474g/mol
Monoisotopic Mass:
467.158g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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