Ethyl 4-methanesulfonylcinnamate - CAS 137473-27-9
Catalog: |
BB065636 |
Product Name: |
Ethyl 4-methanesulfonylcinnamate |
CAS: |
137473-27-9 |
Synonyms: |
Ethyl 4-methanesulfonylcinnamate; Ethyl (E)-3-(4-methylsulfonylphenyl)prop-2-enoate; Ethyl4-methanesulfonylcinnamate |
IUPAC Name: | ethyl (E)-3-(4-methylsulfonylphenyl)prop-2-enoate |
Description: | Ethyl 4-methanesulfonylcinnamate |
Molecular Weight: | 254.3 |
Molecular Formula: | C12H14O4S |
Canonical SMILES: | CCOC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)C |
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 |
Complexity: | 370 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 254.0612801 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.0612801 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 68.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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