| CAS Number | 99116-02-6 |
| Catalog Number | AG01A1ZI(AGN-PC-001JRM) |
| Chemical Name | 2-(Butan-2-yloxy)acetic acid |
| IUPAC Name | 2-butan-2-yloxyacetic acid |
| InChI | InChI=1S/C6H12O3/c1-3-5(2)9-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChI Key | IKUWHVIKVZSENZ-UHFFFAOYSA-N |
| MDL Number | MFCD16153807 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | CCC(OCC(O)=O)C |
| Synonyms | 2-(butan-2-yloxy)acetic acid,
2-(1-Methylpropoxy)acetic acid,
99116-02-6,
(1-Methylpropoxy)acetic acid,
SCHEMBL1873757,
IKUWHVIKVZSENZ-UHFFFAOYSA-N,
AKOS005287759,
MCULE-8235265405,
NE15956,
Z1495385283,
|
| Complexity | 90.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.159g/mol |
| Monoisotopic Mass | 132.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number