| CAS Number | 1566654-21-4 |
| Catalog Number | AG01C1VG |
| Chemical Name | 3-(methoxymethyl)oxolane-3-carboxylic acid |
| IUPAC Name | 3-(methoxymethyl)oxolane-3-carboxylic acid |
| InChI | InChI=1S/C7H12O4/c1-10-4-7(6(8)9)2-3-11-5-7/h2-5H2,1H3,(H,8,9) |
| InChI Key | AZQWKMGQWYFBQJ-UHFFFAOYSA-N |
| MDL Number | MFCD26082308 |
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.1678 |
| SMILES | COCC1(C(O)=O)COCC1 |
| Synonyms | 3-(methoxymethyl)oxolane-3-carboxylic acid,
1566654-21-4,
AKOS024051661,
Z2240988379,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.169g/mol |
| Monoisotopic Mass | 160.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number