| CAS Number | 1262408-58-1 |
| Catalog Number | AG01A020(AGN-PC-0WODGM) |
| Chemical Name | 2,2-Dimethyl-3-(oxan-4-yl)propanoic acid |
| IUPAC Name | 2,2-dimethyl-3-(oxan-4-yl)propanoic acid |
| InChI | InChI=1S/C10H18O3/c1-10(2,9(11)12)7-8-3-5-13-6-4-8/h8H,3-7H2,1-2H3,(H,11,12) |
| InChI Key | YTKCURONSSHPOB-UHFFFAOYSA-N |
| MDL Number | MFCD16855556 |
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.2481 |
| SMILES | CC(C(O)=O)(CC1CCOCC1)C |
| Synonyms | 2,2-dimethyl-3-(oxan-4-yl)propanoic acid,
1262408-58-1,
2,2-Dimethyl-3-(tetrahydro-2H-pyran-4-yl)propanoic acid,
ZINC54631580,
AKOS012032245,
KS-9077,
MCULE-2632743760,
NE48009,
RP24643,
F8881-7108,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.251g/mol |
| Monoisotopic Mass | 186.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number