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129840-58-0 | 1,2-Benzenedicarboxylic acid, 1,2-bis(cyclohexylmethyl) ester
CAS No: 129840-58-0 Catalog No: AG000TQD MDL No:
Product Description
Catalog Number:
AG000TQD
Chemical Name:
1,2-Benzenedicarboxylic acid, 1,2-bis(cyclohexylmethyl) ester
CAS Number:
129840-58-0
Molecular Formula:
C22H30O4
Molecular Weight:
358.4712
IUPAC Name:
bis(cyclohexylmethyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C22H30O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h7-8,13-14,17-18H,1-6,9-12,15-16H2
InChI Key:
VMDTYSXUHXCGJC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)OCC1CCCCC1)OCC1CCCCC1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.214g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.478g/mol
Monoisotopic Mass:
358.214g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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