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68052-04-0 | HEXANEDIOIC ACID 2-ETHYLHEXYL ISODECYL ESTER
CAS No: 68052-04-0 Catalog No: AG006G9I MDL No:
Product Description
Catalog Number:
AG006G9I
Chemical Name:
HEXANEDIOIC ACID 2-ETHYLHEXYL ISODECYL ESTER
CAS Number:
68052-04-0
Molecular Formula:
C24H46O4
Molecular Weight:
398.6196
IUPAC Name:
6-O-(2-ethylhexyl) 1-O-(8-methylnonyl) hexanedioate
InChI:
InChI=1S/C24H46O4/c1-5-7-16-22(6-2)20-28-24(26)18-13-12-17-23(25)27-19-14-10-8-9-11-15-21(3)4/h21-22H,5-20H2,1-4H3
InChI Key:
HOSZAPIFYRKHAK-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)CCCCC(=O)OCCCCCCCC(C)C)CC
EC Number:
268-297-1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.34g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.628g/mol
Monoisotopic Mass:
398.34g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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