| CAS Number | 5584-00-9 |
| Catalog Number | AG01B4Y4(AGN-PC-00332B) |
| Chemical Name | 2-(5-Methyloxolan-2-yl)acetic acid |
| IUPAC Name | 2-(5-methyloxolan-2-yl)acetic acid |
| InChI | InChI=1S/C7H12O3/c1-5-2-3-6(10-5)4-7(8)9/h5-6H,2-4H2,1H3,(H,8,9) |
| InChI Key | VODQLTAWGPQMGI-UHFFFAOYSA-N |
| MDL Number | MFCD19228833 |
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.1684 |
| SMILES | CC1OC(CC(O)=O)CC1 |
| Synonyms | 2-(5-methyloxolan-2-yl)acetic acid,
5584-00-9,
AKOS006379025,
5-methyl-tetrahydrofuran-2-acetic acid,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.17g/mol |
| Monoisotopic Mass | 144.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number