| CAS Number | 4272-12-2 |
| Catalog Number | AG019TYX(AGN-PC-0WOBG2) |
| Chemical Name | 3-(acetyloxy)propanoic acid |
| IUPAC Name | 3-acetyloxypropanoic acid |
| InChI | InChI=1S/C5H8O4/c1-4(6)9-3-2-5(7)8/h2-3H2,1H3,(H,7,8) |
| InChI Key | RFEXARYJXBYPLD-UHFFFAOYSA-N |
| MDL Number | MFCD00040206 |
| Molecular Formula | C5H8O4 |
| Molecular Weight | 132.1146 |
| SMILES | OC(CCOC(C)=O)=O |
| Synonyms | 3-(acetyloxy)propanoic acid,
3-acetoxypropanoic acid,
4272-12-2,
3-acetoxypropionic acid,
Propanoic acid, 3-(acetyloxy)-,
3-acetoxy-propionic acid,
beta-acetoxypropionic acid,
SCHEMBL468689,
RFEXARYJXBYPLD-UHFFFAOYSA-N,
MFCD00040206,
ZINC14507045,
AKOS006223257,
MCULE-6617841906,
NE10953,
BS-13169,
I04-1198,
Z216124300,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.115g/mol |
| Monoisotopic Mass | 132.042g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number