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85168-76-9

85168-76-9 | ISONONYL ISOTRIDECYL PHTHALATE

CAS No: 85168-76-9 Catalog No: AG004WCW MDL No:

Product Description

Catalog Number:
AG004WCW
Chemical Name:
ISONONYL ISOTRIDECYL PHTHALATE
CAS Number:
85168-76-9
Molecular Formula:
C30H50O4
Molecular Weight:
474.7156
IUPAC Name:
1-O-(11-methyldodecyl) 2-O-(7-methyloctyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C30H50O4/c1-25(2)19-13-9-7-5-6-8-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3
InChI Key:
NFBXHPAYXLXNTB-UHFFFAOYSA-N
SMILES:
CC(CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C
EC Number:
285-917-6

Properties

Complexity:
514  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.371g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
474.726g/mol
Monoisotopic Mass:
474.371g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.7  

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