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71486-48-1 | 1,2-Benzenedicarboxylicacid, 1-cyclohexyl 2-isooctyl ester
CAS No: 71486-48-1 Catalog No: AG005HPP MDL No:
Product Description
Catalog Number:
AG005HPP
Chemical Name:
1,2-Benzenedicarboxylicacid, 1-cyclohexyl 2-isooctyl ester
CAS Number:
71486-48-1
Molecular Formula:
C22H32O4
Molecular Weight:
360.4871
IUPAC Name:
2-O-cyclohexyl 1-O-(6-methylheptyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C22H32O4/c1-17(2)11-5-4-10-16-25-21(23)19-14-8-9-15-20(19)22(24)26-18-12-6-3-7-13-18/h8-9,14-15,17-18H,3-7,10-13,16H2,1-2H3
InChI Key:
PQDNDGYLGVVELW-UHFFFAOYSA-N
SMILES:
CC(CCCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1)C
EC Number:
275-521-1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.23g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.494g/mol
Monoisotopic Mass:
360.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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