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208662-21-9 | 1,1-Cyclohexanedicarboxylic acid, 1,1-bis(phenylmethyl) ester
CAS No: 208662-21-9 Catalog No: AG002JTR MDL No:
Product Description
Catalog Number:
AG002JTR
Chemical Name:
1,1-Cyclohexanedicarboxylic acid, 1,1-bis(phenylmethyl) ester
CAS Number:
208662-21-9
Molecular Formula:
C22H24O4
Molecular Weight:
352.4236
IUPAC Name:
dibenzyl cyclohexane-1,1-dicarboxylate
InChI:
InChI=1S/C22H24O4/c23-20(25-16-18-10-4-1-5-11-18)22(14-8-3-9-15-22)21(24)26-17-19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2
InChI Key:
HKBXIFBGZWONDJ-UHFFFAOYSA-N
SMILES:
O=C(C1(CCCCC1)C(=O)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.167g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.43g/mol
Monoisotopic Mass:
352.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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