| CAS Number | 73017-82-0 |
| Catalog Number | AG00FHJQ(AGN-PC-0WAKGQ) |
| Chemical Name | Ethyl 2-(methylsulfonyl)propanoate |
| IUPAC Name | ethyl 2-methylsulfonylpropanoate |
| InChI | InChI=1S/C6H12O4S/c1-4-10-6(7)5(2)11(3,8)9/h5H,4H2,1-3H3 |
| InChI Key | KVYLGLYBQFEJAK-UHFFFAOYSA-N |
| MDL Number | MFCD16045025 |
| Molecular Formula | C6H12O4S |
| Molecular Weight | 180.2221 |
| SMILES | CCOC(=O)C(C)S(=O)(=O)C |
| Synonyms | ETHYL 2-(METHYLSULFONYL)PROPANOATE,
73017-82-0,
SCHEMBL5771,
DTXSID50441005,
KVYLGLYBQFEJAK-UHFFFAOYSA-N,
MFCD16045025,
AKOS010486196,
AS-41603,
AB0007325,
2-(Methylsulfonyl)propanoic acid ethyl ester,
CS-0036428,
X-1111,
Propanoic acid, 2-(methylsulfonyl)-, ethyl ester,
(+/-)-2-methanesulfonyl-propionic acid ethyl ester,
Ethyl 2-methylsulfonylpropanoate,
CID10511577,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.218g/mol |
| Monoisotopic Mass | 180.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number