| CAS Number | 56970-75-3 |
| Catalog Number | AG00IA61(AGN-PC-00PPJ5) |
| Chemical Name | Butanoic acid, 2-(hydroxymethyl)-, methyl ester |
| IUPAC Name | methyl 2-(hydroxymethyl)butanoate |
| InChI | InChI=1S/C6H12O3/c1-3-5(4-7)6(8)9-2/h5,7H,3-4H2,1-2H3 |
| InChI Key | AICAOTFMUITLFU-UHFFFAOYSA-N |
| MDL Number | MFCD14635876 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | CCC(C(OC)=O)CO |
| Synonyms | Methyl 2-(hydroxymethyl)butanoate,
56970-75-3,
2-hydroxymethyl-butyric acid methyl ester,
SCHEMBL6743391,
2-methylolbutyric acid methyl ester,
MFCD14635876,
AKOS017515585,
AS-44986,
2-(Hydroxymethyl)butyric acid methyl ester,
2-(hydroxymethyl)-butyric acid methyl ester,
Butanoic acid, 2-(hydroxymethyl)-, methyl ester,
Z1725440372,
|
| 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 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number