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19074-24-9 | Dodecanedioic acid, 1,12-bis(2-ethylhexyl) ester
CAS No: 19074-24-9 Catalog No: AG002ES0 MDL No:MFCD00144216
Product Description
Catalog Number:
AG002ES0
Chemical Name:
Dodecanedioic acid, 1,12-bis(2-ethylhexyl) ester
CAS Number:
19074-24-9
Molecular Formula:
C28H54O4
Molecular Weight:
454.7260
MDL Number:
MFCD00144216
IUPAC Name:
bis(2-ethylhexyl) dodecanedioate
InChI:
InChI=1S/C28H54O4/c1-5-9-19-25(7-3)23-31-27(29)21-17-15-13-11-12-14-16-18-22-28(30)32-24-26(8-4)20-10-6-2/h25-26H,5-24H2,1-4H3
InChI Key:
MTPSFISGWJGUGN-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)CCCCCCCCCCC(=O)OCC(CCCC)CC)CC
EC Number:
242-798-5
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.402g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.736g/mol
Monoisotopic Mass:
454.402g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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