| CAS Number | 1343801-90-0 |
| Catalog Number | AG01A5ZK(AGN-PC-0WOBZL) |
| Chemical Name | 2-[2-(propan-2-yl)oxan-4-yl]acetic acid |
| IUPAC Name | 2-(2-propan-2-yloxan-4-yl)acetic acid |
| InChI | InChI=1S/C10H18O3/c1-7(2)9-5-8(3-4-13-9)6-10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12) |
| InChI Key | CAQOXHNBVLCOGG-UHFFFAOYSA-N |
| MDL Number | MFCD19651653 |
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.2481 |
| SMILES | CC(C1OCCC(CC(O)=O)C1)C |
| Synonyms | 2-[2-(propan-2-yl)oxan-4-yl]acetic acid,
1343801-90-0,
2-(2-Isopropyltetrahydro-2H-pyran-4-yl)acetic acid,
AKOS013417080,
NE16524,
|
| Complexity | 177 |
| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number