| CAS Number | 14390-07-9 |
| Catalog Number | AG01A6ZC(AGN-PC-0WO3CH) |
| Chemical Name | 2-(2,2-dimethyloxan-4-yl)acetic acid |
| IUPAC Name | 2-(2,2-dimethyloxan-4-yl)acetic acid |
| InChI | InChI=1S/C9H16O3/c1-9(2)6-7(3-4-12-9)5-8(10)11/h7H,3-6H2,1-2H3,(H,10,11) |
| InChI Key | HVXMUCXKBKGMSF-UHFFFAOYSA-N |
| MDL Number | MFCD19301348 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | CC1(OCCC(CC(O)=O)C1)C |
| Synonyms | 2-(2,2-dimethyloxan-4-yl)acetic acid,
14390-07-9,
2-(2,2-dimethyltetrahydro-2h-pyran-4-yl)acetic acid,
2,2-dimethyl-4-tetrahydropyranylacetic acid,
SCHEMBL2013137,
AKOS013417486,
NE44615,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number