| CAS Number | 617690-26-3 |
| Catalog Number | AG00IAWZ(AGN-PC-0T1J3N) |
| Chemical Name | Cis-2-methyloxolane-3-carboxylic acid |
| IUPAC Name | (2S,3S)-2-methyloxolane-3-carboxylic acid |
| InChI | InChI=1S/C6H10O3/c1-4-5(6(7)8)2-3-9-4/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5-/m0/s1 |
| InChI Key | YXVATTQXDIZNEP-WHFBIAKZSA-N |
| MDL Number | MFCD27997478 |
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.1418 |
| SMILES | C[C@H]1[C@@H](C(O)=O)CCO1 |
| Synonyms | cis-2-Methyloxolane-3-carboxylic acid,
617690-26-3,
MFCD27997478,
ZINC72207355,
CS-0035981,
(2S,3S)-2-METHYLOXOLANE-3-CARBOXYLIC ACID,
|
| 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 | 0.2 |
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Certificate of Analysis
Lot Number