| CAS Number | 59854-10-3 |
| Catalog Number | AG01B8VF(AGN-PC-00K6RO) |
| Chemical Name | tert-Butyl 2-hydroxypropanoate |
| IUPAC Name | tert-butyl 2-hydroxypropanoate |
| InChI | InChI=1S/C7H14O3/c1-5(8)6(9)10-7(2,3)4/h5,8H,1-4H3 |
| InChI Key | IXXMVXXFAJGOQO-UHFFFAOYSA-N |
| MDL Number | MFCD21641883 |
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.1843 |
| SMILES | CC(C(OC(C)(C)C)=O)O |
| Synonyms | Tert-butyl 2-hydroxypropanoate,
59854-10-3,
(R)-tert-butyl 2-hydroxypropanoate,
(S)-tert-Butyl 2-hydroxypropanoate,
tert-butyl lactate,
AC1MTMK1,
SCHEMBL305050,
tert-butyl 2-hydroxypropionate,
CTK1E6349,
DTXSID30394080,
IXXMVXXFAJGOQO-UHFFFAOYSA-N,
AKOS009157653,
TERT-BUTYL (2R)-2-HYDROXYPROPANOATE,
Propanoic acid, 2-hydroxy-, 1,1-dimethylethyl ester,
Z2235809834,
CID3604460,
68166-83-6,
13650-70-9,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.186g/mol |
| Monoisotopic Mass | 146.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H227-H302-H315-H319-H335
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P210-P261-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number