| CAS Number | 133871-52-0 |
| Catalog Number | AG009GN5(AGN-PC-002TGR) |
| Chemical Name | Methyl 3,3,3-trimethoxypropanoate |
| IUPAC Name | methyl 3,3,3-trimethoxypropanoate |
| InChI | InChI=1S/C7H14O5/c1-9-6(8)5-7(10-2,11-3)12-4/h5H2,1-4H3 |
| InChI Key | VSDRPRFMFHTAAU-UHFFFAOYSA-N |
| MDL Number | MFCD06858739 |
| Molecular Formula | C7H14O5 |
| Molecular Weight | 178.1831 |
| SMILES | COC(CC(OC)(OC)OC)=O |
| Synonyms | Methyl 3,3,3-trimethoxypropanoate,
133871-52-0,
Methyl 3,3,3-trimethoxypropionate,
3,3,3-Trimethoxy-propionic acid methyl ester,
SCHEMBL1523144,
CTK4B8839,
DTXSID80564776,
ZINC4204275,
MFCD06858739,
AKOS006285050,
AJ-48729,
AX8138477,
TC-071022,
M40021,
32650-62-7,
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| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.184g/mol |
| Monoisotopic Mass | 178.084g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number