| CAS Number | 10311-82-7 |
| Catalog Number | AG008S4J(AGN-PC-02JKSK) |
| Chemical Name | 3-Chloro-2-hydroxypropyl (Z)-octadec-9-enoate |
| IUPAC Name | (3-chloro-2-hydroxypropyl) (Z)-octadec-9-enoate |
| InChI | InChI=1S/C21H39ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,23H,2-8,11-19H2,1H3/b10-9- |
| InChI Key | GQUYTVRTHVOZHT-KTKRTIGZSA-N |
| MDL Number | MFCD07369621 |
| Molecular Formula | C21H39ClO3 |
| Molecular Weight | 374.9856 |
| SMILES | C(CCCCCCC\C=C/CCCCCCCC)(=O)OCC(CCl)O |
| Synonyms | 1-OLEOYL-3-CHLOROPROPANEDIOL,
10311-82-7,
rac 1-Oleoyl-3-chloropropanediol,
3-Chloro-2-hydroxypropyl oleate,
Oleic acid, 3-chloro-2-hydroxypropyl ester,
AC1O5V3E,
3-Chloro-1,2-propanediol 1-Oleate,
3-Chloro-1,2-propanediol 1-Monooleate,
Oleic Acid 3-Chloro-2-hydroxypropyl Ester,
(3-chloro-2-hydroxypropyl) (Z)-octadec-9-enoate,
(9Z)-9-Octadecenoic Acid 3-Chloro-2-hydroxypropyl Ester,
UNII-ME300L04PH,
C21H39ClO3,
ME300L04PH,
C21-H39-Cl-O3,
CID6441321,
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| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 374.259g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 374.99g/mol |
| Monoisotopic Mass | 374.259g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.6 |
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Certificate of Analysis
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