| CAS Number | 1807937-55-8 |
| Catalog Number | AG019EUG |
| Chemical Name | Cis-5-methyltetrahydrofuran-2-carboxylic acid |
| IUPAC Name | (2R,5R)-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)/t4-,5-/m1/s1 |
| InChI Key | NWEBMMMSMHXMLR-RFZPGFLSSA-N |
| MDL Number | MFCD27997477 |
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.1418 |
| SMILES | C[C@@H]1CC[C@H](C(=O)O)O1 |
| Synonyms | cis-5-Methyloxolane-2-carboxylic acid,
1807937-55-8,
(2R,5R)-5-methyloxolane-2-carboxylic acid,
MFCD27997477,
ZINC62715235,
AKOS034810161,
CS-0035602,
EN300-248502,
Z2238277752,
1821814-99-6,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number