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2915-49-3 | 4-Cyclohexene-1,2-dicarboxylic acid, 1,2-bis(2-ethylhexyl) ester
CAS No: 2915-49-3 Catalog No: AG0011HP MDL No:MFCD00059565
Product Description
Catalog Number:
AG0011HP
Chemical Name:
4-Cyclohexene-1,2-dicarboxylic acid, 1,2-bis(2-ethylhexyl) ester
CAS Number:
2915-49-3
Molecular Formula:
C24H42O4
Molecular Weight:
394.5879
MDL Number:
MFCD00059565
IUPAC Name:
bis(2-ethylhexyl) cyclohex-4-ene-1,2-dicarboxylate
InChI:
InChI=1S/C24H42O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,19-22H,5-10,13-18H2,1-4H3
InChI Key:
SVVBLKNHJWTATO-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)C1CC=CCC1C(=O)OCC(CCCC)CC)CC
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.308g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.596g/mol
Monoisotopic Mass:
394.308g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
Literature
| Title | Journal |
|---|---|
| Analysis of phthalic acid diesters, monoester, and other plasticizers in polyvinyl chloride household products in Japan. | Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20110101 |
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