| CAS Number | 17860-39-8 |
| Catalog Number | AG002665(AGN-PC-0NJFDD) |
| Chemical Name | Methyl 2-methoxy-2-methylpropanoate |
| IUPAC Name | methyl 2-methoxy-2-methylpropanoate |
| InChI | InChI=1S/C6H12O3/c1-6(2,9-4)5(7)8-3/h1-4H3 |
| InChI Key | AKWHOGIYEOZALP-UHFFFAOYSA-N |
| MDL Number | MFCD13881934 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | COC(C(=O)OC)(C)C |
| Synonyms | Methyl 2-methoxy-2-methylpropanoate,
17860-39-8,
methyl alpha-methoxyisobutyrate,
Propanoic acid, 2-methoxy-2-methyl-, methyl ester,
SCHEMBL194990,
CTK0E3454,
DTXSID40502770,
AKWHOGIYEOZALP-UHFFFAOYSA-N,
methyl 2-methoxy-2-methylpropionate,
ZINC14491396,
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| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.159g/mol |
| Monoisotopic Mass | 132.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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