| CAS Number | 1341685-92-4 |
| Catalog Number | AG01A4UN(AGN-PC-0WO5K6) |
| Chemical Name | 2-Ethyltetrahydro-2H-pyran-4-carboxylic acid |
| IUPAC Name | 2-ethyloxane-4-carboxylic acid |
| InChI | InChI=1S/C8H14O3/c1-2-7-5-6(8(9)10)3-4-11-7/h6-7H,2-5H2,1H3,(H,9,10) |
| InChI Key | KAMBMTCSYGVFJE-UHFFFAOYSA-N |
| MDL Number | MFCD19651745 |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.1950 |
| SMILES | C(C)C1OCCC(C1)C(=O)O |
| Synonyms | 2-ethyloxane-4-carboxylic acid,
1341685-92-4,
2-Ethyltetrahydro-2H-pyran-4-carboxylic acid,
SCHEMBL14720350,
AKOS013417311,
NE17820,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.197g/mol |
| Monoisotopic Mass | 158.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number