| CAS Number | 137473-27-9 |
| Catalog Number | AG009WTF(AGN-PC-0O1DA9) |
| Chemical Name | Ethyl 4-methanesulfonylcinnamate |
| IUPAC Name | ethyl (E)-3-(4-methylsulfonylphenyl)prop-2-enoate |
| InChI | InChI=1S/C12H14O4S/c1-3-16-12(13)9-6-10-4-7-11(8-5-10)17(2,14)15/h4-9H,3H2,1-2H3/b9-6+ |
| InChI Key | YOUOTKHSWKCRQF-RMKNXTFCSA-N |
| MDL Number | MFCD22124828 |
| Molecular Formula | C12H14O4S |
| Molecular Weight | 254.3022 |
| SMILES | O=C(OCC)/C=C/C1=CC=C(S(=O)(C)=O)C=C1 |
| Synonyms | 137473-27-9,
Ethyl 4-methanesulfonylcinnamate,
ethyl (2E)-3-[4-(methylsulfonyl)phenyl]acrylate,
SCHEMBL5216407,
SCHEMBL5216422,
YOUOTKHSWKCRQF-RMKNXTFCSA-N,
ZINC39122589,
CJ-19790,
V2725,
K-4435,
(E)-3-(4-Mesylphenyl)acrylic acid ethyl ester,
3-(p-(Methylsulfonyl)phenyl)acrylic acid ethyl ester,
(E)-3-(4-(methylsulfonyl)phenyl)acrylic acid ethyl ester,
(2E)-3-[4-(METHYLSULFONYL)PHENYL]-2-PROPENOIC ACID, ETHYL ESTER,
C12H14O4S,
CID10634688,
Ethyl (E)-3-(4-methylsulfonylphenyl)prop-2-enoate,
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| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 254.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.3g/mol |
| Monoisotopic Mass | 254.061g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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