| CAS Number | 116233-54-6 |
| Catalog Number | AG01BHU1(AGN-PC-000L26) |
| Chemical Name | 3,6-Dihydro-2H-pyran-2-carboxylic acid |
| IUPAC Name | 3,6-dihydro-2H-pyran-2-carboxylic acid |
| InChI | InChI=1S/C6H8O3/c7-6(8)5-3-1-2-4-9-5/h1-2,5H,3-4H2,(H,7,8) |
| InChI Key | OWRKSSDYRPRYGL-UHFFFAOYSA-N |
| MDL Number | MFCD19228699 |
| Molecular Formula | C6H8O3 |
| Molecular Weight | 128.1259 |
| SMILES | O=C(C1CC=CCO1)O |
| Synonyms | 3,6-dihydro-2H-pyran-2-carboxylic acid,
116233-54-6,
SCHEMBL1399779,
AKOS006376285,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.127g/mol |
| Monoisotopic Mass | 128.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number