| CAS Number | 69161-73-5 |
| Catalog Number | AG00FDIV(AGN-PC-0TUVEK) |
| Chemical Name | rac 1,2-Dioleoyl-3-chloropropanediol |
| IUPAC Name | [3-chloro-2-[(Z)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate |
| InChI | InChI=1S/C39H71ClO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3/b19-17+,20-18- |
| InChI Key | BLQSPZHGZHJLGB-NADBREJJSA-N |
| MDL Number | MFCD18253016 |
| Molecular Formula | C39H71ClO4 |
| Molecular Weight | 639.4316 |
| SMILES | CCCCCCCCC=C/CCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCCC=C/CCCCCCCC |
| Synonyms | 1-(Chloromethyl)-1,2-ethanediyl (Z)-9-octadecenoate,
AC1O5SDP,
9-Octadecenoic acid, (Z)-, 1-(chloromethyl)-1,2-ethanediyl ester,
69161-73-5,
[3-chloro-2-[(Z)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate,
CID6439772,
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| Complexity | 675 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 638.504g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 639.443g/mol |
| Monoisotopic Mass | 638.504g/mol |
| Rotatable Bond Count | 36 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 15.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number