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17673-05-1 | Decanedioic acid, 1,10-bis(2,2-dimethyloctyl) ester
CAS No: 17673-05-1 Catalog No: AG0024VZ MDL No:
Product Description
Catalog Number:
AG0024VZ
Chemical Name:
Decanedioic acid, 1,10-bis(2,2-dimethyloctyl) ester
CAS Number:
17673-05-1
Molecular Formula:
C30H58O4
Molecular Weight:
482.7791
IUPAC Name:
bis(2,2-dimethyloctyl) decanedioate
InChI:
InChI=1S/C30H58O4/c1-7-9-11-19-23-29(3,4)25-33-27(31)21-17-15-13-14-16-18-22-28(32)34-26-30(5,6)24-20-12-10-8-2/h7-26H2,1-6H3
InChI Key:
ZUPWODCTMPKSNW-UHFFFAOYSA-N
SMILES:
CCCCCCC(COC(=O)CCCCCCCCC(=O)OCC(CCCCCC)(C)C)(C)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.434g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
482.79g/mol
Monoisotopic Mass:
482.434g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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