| CAS Number | 61834-13-7 |
| Catalog Number | AG019ZS0(AGN-PC-022E2J) |
| Chemical Name | 5-methyloxolane-2-carboxylic acid |
| IUPAC Name | 5-methyloxolane-2-carboxylic acid |
| InChI | InChI=1S/C6H10O3/c1-4-2-3-5(9-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8) |
| InChI Key | NWEBMMMSMHXMLR-UHFFFAOYSA-N |
| MDL Number | MFCD19228944 |
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.1418 |
| SMILES | CC1CCC(O1)C(=O)O |
| Synonyms | 5-methyloxolane-2-carboxylic acid,
61834-13-7,
1807937-55-8,
Cis-5-methyltetrahydrofuran-2-carboxylic acid,
SCHEMBL354628,
5-Methyl-2-tetrahydrofuroic acid,
NWEBMMMSMHXMLR-UHFFFAOYSA-N,
AKOS006380180,
MCULE-7354058760,
NE16471,
Z1431919941,
|
| 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 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number