| CAS Number | 73569-40-1 |
| Catalog Number | AG00ICF0(AGN-PC-0NJDJ7) |
| Chemical Name | Acetic acid, dimethoxy- |
| IUPAC Name | 2,2-dimethoxyacetic acid |
| InChI | InChI=1S/C4H8O4/c1-7-4(8-2)3(5)6/h4H,1-2H3,(H,5,6) |
| InChI Key | PHELOKYCCWVWFE-UHFFFAOYSA-N |
| MDL Number | MFCD06203292 |
| Molecular Formula | C4H8O4 |
| Molecular Weight | 120.1039 |
| SMILES | COC(C(=O)O)OC |
| Synonyms | 2,2-dimethoxyacetic acid,
73569-40-1,
dimethoxyacetic acid,
dimethoxy-acetic acid,
Acetic acid, dimethoxy-,
SCHEMBL875225,
PHELOKYCCWVWFE-UHFFFAOYSA-N,
ZINC15262106,
AKOS006228116,
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| Complexity | 76.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 120.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 120.104g/mol |
| Monoisotopic Mass | 120.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^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