| CAS Number | 1797225-93-4 |
| Catalog Number | AG01AG3K(AGN-PC-0WOAPM) |
| Chemical Name | 5-Methyloxolane-3-carboxylic acid |
| IUPAC Name | 5-methyloxolane-3-carboxylic acid |
| InChI | InChI=1S/C6H10O3/c1-4-2-5(3-9-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8) |
| InChI Key | KXWUMIANQIGMCR-UHFFFAOYSA-N |
| MDL Number | MFCD24499194 |
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.1418 |
| SMILES | CC1OCC(C(O)=O)C1 |
| Synonyms | 5-methyloxolane-3-carboxylic acid,
1797225-93-4,
SCHEMBL18185881,
AKOS026729513,
MCULE-6422706201,
NE38590,
Z1787362384,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.143g/mol |
| Monoisotopic Mass | 130.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number