| CAS Number | 852400-10-3 |
| Catalog Number | AG019O4V |
| Chemical Name | 3-(3-methylphenyl)-2-(thiophen-2-yl)prop-2-enoic acid |
| IUPAC Name | 3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enoic acid |
| InChI | InChI=1S/C14H12O2S/c1-10-4-2-5-11(8-10)9-12(14(15)16)13-6-3-7-17-13/h2-9H,1H3,(H,15,16) |
| InChI Key | GYILLEGDYCMKQG-UHFFFAOYSA-N |
| MDL Number | MFCD06673461 |
| Molecular Formula | C14H12O2S |
| Molecular Weight | 244.3089 |
| SMILES | CC1=CC(C=C(C2SC=CC=2)C(O)=O)=CC=C1 |
| Synonyms | 3-(3-methylphenyl)-2-(thiophen-2-yl)prop-2-enoic acid,
852400-10-3,
AC1NLQ1X,
CTK6C0932,
CTK8F4649,
AKOS034637429,
MCULE-6559168326,
3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enoic acid,
Z85933895,
CID4962059,
3-(3-methylphenyl)-2-thien-2-ylacrylic acid,
3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoic Acid,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.308g/mol |
| Monoisotopic Mass | 244.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number