| CAS Number | 14565-11-8 |
| Catalog Number | AG019F14(AGN-PC-0NDZB1) |
| Chemical Name | Methyl 7-Hydroxyheptanoate |
| IUPAC Name | methyl 7-hydroxyheptanoate |
| InChI | InChI=1S/C8H16O3/c1-11-8(10)6-4-2-3-5-7-9/h9H,2-7H2,1H3 |
| InChI Key | OEFRVJHOJAMSEX-UHFFFAOYSA-N |
| MDL Number | MFCD16039616 |
| Molecular Formula | C8H16O3 |
| Molecular Weight | 160.2108 |
| SMILES | C(=O)(OC)CCCCCCO |
| Synonyms | methyl 7-hydroxyheptanoate,
14565-11-8,
SCHEMBL816422,
AMOT0113,
OEFRVJHOJAMSEX-UHFFFAOYSA-N,
7-Hydroxyenanthic acid methyl ester,
MFCD16039616,
ZINC34588862,
7-hydroxy-heptanoic acid methyl ester,
AM62806,
methyl ester of 7-hydroxyheptanoic acid,
Heptanoic acid, 7-hydroxy-, methyl ester,
CS-0059718,
FT-0748599,
CID10986540,
|
| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.213g/mol |
| Monoisotopic Mass | 160.11g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number