| CAS Number | 519177-07-2 |
| Catalog Number | AG003DKQ(AGN-PC-07825O) |
| Chemical Name | Dodecanoic acid, 2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethyl ester |
| IUPAC Name | 1,3-bis(phenylmethoxy)propan-2-yl dodecanoate |
| InChI | InChI=1S/C29H42O4/c1-2-3-4-5-6-7-8-9-16-21-29(30)33-28(24-31-22-26-17-12-10-13-18-26)25-32-23-27-19-14-11-15-20-27/h10-15,17-20,28H,2-9,16,21-25H2,1H3 |
| InChI Key | HMRAWECRZFFMJY-UHFFFAOYSA-N |
| MDL Number | MFCD09038522 |
| Molecular Formula | C29H42O4 |
| Molecular Weight | 454.6414 |
| SMILES | CCCCCCCCCCCC(=O)OC(COCc1ccccc1)COCc1ccccc1 |
| Synonyms | 1,3-Di-O-benzyl-2-O-lauroylglycerol,
519177-07-2,
ACMC-209kwl,
CTK1G7902,
DTXSID20659771,
ANW-31363,
MFCD09038522,
ZINC100018232,
Glycerol 1,3-Dibenzyl Ether 2-Laurate,
1,3-Bis(benzyloxy)isopropyl Dodecanoate,
TC-120108,
D3524,
1,3-BIS(BENZYLOXY)PROPAN-2-YL DODECANOATE,
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| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 454.308g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 454.651g/mol |
| Monoisotopic Mass | 454.308g/mol |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number