| CAS Number | 104314-03-6 |
| Catalog Number | AG00HABV(AGN-PC-0OT5ZS) |
| Chemical Name | (2E)-3-Phenyl-2-thien-2-ylacrylic acid |
| IUPAC Name | 3-phenyl-2-thiophen-2-ylprop-2-enoic acid |
| InChI | InChI=1S/C13H10O2S/c14-13(15)11(12-7-4-8-16-12)9-10-5-2-1-3-6-10/h1-9H,(H,14,15) |
| InChI Key | PRFYTLRQUHFIRX-UHFFFAOYSA-N |
| MDL Number | MFCD03426894 |
| Molecular Formula | C13H10O2S |
| Molecular Weight | 230.2823 |
| SMILES | OC(C(C1SC=CC=1)=CC1=CC=CC=C1)=O |
| Synonyms | 104314-03-6,
3-phenyl-2-thien-2-ylacrylic acid,
AC1L76D0,
SCHEMBL5471581,
CTK7I2727,
CTK7I3706,
AKOS034637169,
MCULE-2710991612,
3-Phenyl-2-(thiophen-2-yl)acrylic acid,
3-phenyl-2-thiophen-2-ylprop-2-enoic acid,
2-Thiopheneacetic acid, a-(phenylmethylene)-,
Z85928739,
CID355431,
NSC608964,
(2E)-3-phenyl-2-thien-2-ylacrylic acid,
3-phenyl-2-(thiophen-2-yl)prop-2-enoic acid,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.281g/mol |
| Monoisotopic Mass | 230.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number