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114606-03-0 | 4-Cyclohexene-1,2-dicarboxylic acid, 4,5-diphenyl-, 1,2-diethyl ester
CAS No: 114606-03-0 Catalog No: AG000ESC MDL No:
Product Description
Catalog Number:
AG000ESC
Chemical Name:
4-Cyclohexene-1,2-dicarboxylic acid, 4,5-diphenyl-, 1,2-diethyl ester
CAS Number:
114606-03-0
Molecular Formula:
C24H26O4
Molecular Weight:
378.4608
IUPAC Name:
diethyl 4,5-diphenylcyclohex-4-ene-1,2-dicarboxylate
InChI:
InChI=1S/C24H26O4/c1-3-27-23(25)21-15-19(17-11-7-5-8-12-17)20(18-13-9-6-10-14-18)16-22(21)24(26)28-4-2/h5-14,21-22H,3-4,15-16H2,1-2H3
InChI Key:
LPKJSOYQTBEHPY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC(=C(CC1C(=O)OCC)c1ccccc1)c1ccccc1
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.183g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.468g/mol
Monoisotopic Mass:
378.183g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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