| CAS Number | 951624-15-0 |
| Catalog Number | AG00IIS1(AGN-PC-0WQZUL) |
| Chemical Name | (e)-3-(4-(2-methoxyphenylthio)phenyl)acrylic acid |
| IUPAC Name | (E)-3-[4-(2-methoxyphenyl)sulfanylphenyl]prop-2-enoic acid |
| InChI | InChI=1S/C16H14O3S/c1-19-14-4-2-3-5-15(14)20-13-9-6-12(7-10-13)8-11-16(17)18/h2-11H,1H3,(H,17,18)/b11-8+ |
| InChI Key | SJVKNMNBVZCEHU-DHZHZOJOSA-N |
| MDL Number | MFCD09788616 |
| Molecular Formula | C16H14O3S |
| Molecular Weight | 286.3456 |
| SMILES | COC1=C(SC2=CC=C(C=CC(O)=O)C=C2)C=CC=C1 |
| Synonyms | (E)-3-(4-(2-METHOXYPHENYLTHIO)PHENYL)ACRYLIC ACID,
951624-15-0,
(E)-3-(4-((2-Methoxyphenyl)thio)phenyl)acrylic acid,
AR3017,
MFCD09788616,
ZINC35287411,
AS-45504,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 286.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.345g/mol |
| Monoisotopic Mass | 286.066g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number