| CAS Number | 18749-84-3 |
| Catalog Number | AG01FUU2(AGN-PC-0JN0V1) |
| Chemical Name | Didodecyl benzene-1,4-dicarboxylate |
| IUPAC Name | didodecyl benzene-1,4-dicarboxylate |
| InChI | InChI=1S/C32H54O4/c1-3-5-7-9-11-13-15-17-19-21-27-35-31(33)29-23-25-30(26-24-29)32(34)36-28-22-20-18-16-14-12-10-8-6-4-2/h23-26H,3-22,27-28H2,1-2H3 |
| InChI Key | NFDQHOWZPAMCOV-UHFFFAOYSA-N |
| MDL Number | MFCD01682717 |
| Molecular Formula | C32H54O4 |
| Molecular Weight | 502.7688 |
| SMILES | C1(=CC=C(C=C1)C(=O)OCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC |
| Synonyms | Terephthalic acid, didodecyl ester,
Didodecyl terephthalate,
BRN 2606521,
1,4-Benzenedicarboxylic acid, didodecyl ester,
18749-84-3,
SCHEMBL2867627,
Terephthalic acid didodecyl ester,
DTXSID10172060,
LS-148738,
AC1L4FGY,
didodecyl benzene-1,4-dicarboxylate,
CID205830,
C32-H54-O4,
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| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 502.40221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 502.8g/mol |
| Monoisotopic Mass | 502.40221g/mol |
| Rotatable Bond Count | 26 |
| Topological Polar Surface Area | 52.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 14.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number