| CAS Number | 56674-70-5 |
| Catalog Number | AG019X9Y(AGN-PC-0WOBKT) |
| Chemical Name | 2-Ethoxybutanoic acid |
| IUPAC Name | 2-ethoxybutanoic acid |
| InChI | InChI=1S/C6H12O3/c1-3-5(6(7)8)9-4-2/h5H,3-4H2,1-2H3,(H,7,8) |
| InChI Key | JEPGPKGGSYXGKV-UHFFFAOYSA-N |
| MDL Number | MFCD12067177 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | CCOC(C(O)=O)CC |
| Synonyms | 2-ethoxybutanoic acid,
56674-70-5,
ethoxy-butanoic acid,
2-Ethoxybutyric Acid,
AC1Q35ET,
SCHEMBL447796,
CTK6F9789,
AKOS009995454,
MCULE-1674742787,
NE45709,
SY057654,
EN300-54447,
MFCD12067177 (95%),
Z818727452,
|
| 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