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85851-90-7 | 1,2-Benzenedicarboxylicacid, isotridecyl nonyl ester (9CI)
CAS No: 85851-90-7 Catalog No: AG004R4V MDL No:
Product Description
Catalog Number:
AG004R4V
Chemical Name:
1,2-Benzenedicarboxylicacid, isotridecyl nonyl ester (9CI)
CAS Number:
85851-90-7
Molecular Formula:
C30H50O4
Molecular Weight:
474.7156
IUPAC Name:
2-O-(11-methyldodecyl) 1-O-nonyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C30H50O4/c1-4-5-6-7-11-14-19-24-33-29(31)27-22-17-18-23-28(27)30(32)34-25-20-15-12-9-8-10-13-16-21-26(2)3/h17-18,22-23,26H,4-16,19-21,24-25H2,1-3H3
InChI Key:
ZDISDHALDFLPAL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC(C)C
EC Number:
288-650-3
Properties
Complexity:
502
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:
23
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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