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1330-96-7 | 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-octyl ester
CAS No: 1330-96-7 Catalog No: AG0011HQ MDL No:
Product Description
Catalog Number:
AG0011HQ
Chemical Name:
1,2-Benzenedicarboxylic acid, 1-isodecyl 2-octyl ester
CAS Number:
1330-96-7
Molecular Formula:
C26H42O4
Molecular Weight:
418.6093
IUPAC Name:
2-O-(8-methylnonyl) 1-O-octyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C26H42O4/c1-4-5-6-7-10-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-16-11-8-9-12-17-22(2)3/h13-14,18-19,22H,4-12,15-17,20-21H2,1-3H3
InChI Key:
UXLBXTIBYMXRNX-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C
EC Number:
215-554-0
UNII:
27TBU88J06
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.308g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.618g/mol
Monoisotopic Mass:
418.308g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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