Name: Name:1,2-Benzenedicarboxylic acid, 1,2-dioctadecyl ester
Brand: Angene
SKU: AG001G03
Rating: 90 (10 reviews)

1,2-Benzenedicarboxylic acid, 1,2-dioctadecyl ester

CAS No.:

14117-96-5

Catalog Number:

AG001G03

Molecular Formula:

C44H78O4

Molecular Weight:

671.0877

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

MDL Number:

MFCD22372084

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

Complexity:

633

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

670.59g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

671.104g/mol

Monoisotopic Mass:

670.59g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

19.9