| CAS Number | 14531-40-9 |
| Catalog Number | AG00AM5Q |
| Chemical Name | METHYL 3-HYDROXYOCTADECANOATE |
| IUPAC Name | methyl 3-hydroxyoctadecanoate |
| InChI | InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22-2/h18,20H,3-17H2,1-2H3 |
| InChI Key | XIGHAQIRKIFLFB-UHFFFAOYSA-N |
| MDL Number | MFCD00673457 |
| Molecular Formula | C19H38O3 |
| Molecular Weight | 314.5032 |
| SMILES | CCCCCCCCCCCCCCCC(CC(=O)OC)O |
| Synonyms | Methyl 3-hydroxyoctadecanoate,
2420-36-2,
Octadecanoic acid, 3-hydroxy-, methyl ester,
3-Hydroxyoctadecanoic acid methyl ester,
Methyl 3-Hydroxyoctadecanoate, (C18),
14531-40-9,
AC1LBN77,
SCHEMBL3127385,
CTK0I7548,
DTXSID10337117,
XIGHAQIRKIFLFB-UHFFFAOYSA-N,
AKOS030240075,
J-008085,
3-Hydroxyoctadecanoicacidmethylester,
CID538801,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.282g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.51g/mol |
| Monoisotopic Mass | 314.282g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number