| CAS Number | 58735-82-3 |
| Catalog Number | AG00EDO3(AGN-PC-0SQJAQ) |
| Chemical Name | Ethyl Acetate-’3C |
| InChI | InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3/i2+1 |
| InChI Key | XEKOWRVHYACXOJ-VQEHIDDOSA-N |
| MDL Number | MFCD00037530 |
| Molecular Formula | C4H8O2 |
| Molecular Weight | 89.0978 |
| SMILES | [13CH3]C(=O)OCC |
| Synonyms | Ethyl acetate-2-13C,
58735-82-3,
Ethylacetate(2-13C),
DTXSID20446289,
AKOS015915890,
Ethyl acetate-2-13C, 99 atom % 13C,
I14-52507,
Ethyl acetic ester,
CID10866261,
|
| Complexity | 49.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 89.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 1 |
| Molecular Weight | 89.098g/mol |
| Monoisotopic Mass | 89.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number