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14117-96-5 | 1,2-Benzenedicarboxylic acid, 1,2-dioctadecyl ester
CAS No: 14117-96-5 Catalog No: AG001G03 MDL No:
Product Description
Catalog Number:
AG001G03
Chemical Name:
1,2-Benzenedicarboxylic acid, 1,2-dioctadecyl ester
CAS Number:
14117-96-5
Molecular Formula:
C44H78O4
Molecular Weight:
671.0877
IUPAC Name:
dioctadecyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C44H78O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-47-43(45)41-37-33-34-38-42(41)44(46)48-40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38H,3-32,35-36,39-40H2,1-2H3
InChI Key:
MQKMBXOZOISLIV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCCCC
EC Number:
237-971-7
UNII:
06J46O83PN
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
670.59g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
671.104g/mol
Monoisotopic Mass:
670.59g/mol
Rotatable Bond Count:
38
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
19.9
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