| CAS Number | 23062-42-2 |
| Catalog Number | AG002M3C(AGN-PC-0JPA5M) |
| Chemical Name | 4-Phenylthiophene-3-carboxylic acid |
| IUPAC Name | 4-phenylthiophene-3-carboxylic acid |
| InChI | InChI=1S/C11H8O2S/c12-11(13)10-7-14-6-9(10)8-4-2-1-3-5-8/h1-7H,(H,12,13) |
| InChI Key | ZNTFBJWDGATWSI-UHFFFAOYSA-N |
| MDL Number | MFCD01927369 |
| Molecular Formula | C11H8O2S |
| Molecular Weight | 204.2450 |
| NSC Number | 149722 |
| SMILES | O=C(C1=CSC=C1C2=CC=CC=C2)O |
| Synonyms | 4-phenylthiophene-3-carboxylic acid,
23062-42-2,
NSC149722,
AC1Q5ULL,
AC1L69PP,
SCHEMBL9674386,
CTK4F0796,
DTXSID80302216,
ZINC984442,
4-Phenyl-3-thiophenecarboxylic acid,
AKOS004115524,
3-Thiophenecarboxylic acid, 4-phenyl-,
NSC-149722,
SY034104,
MFCD01927369 (95%),
Z2130642644,
AR-1G4448,
CID288508,
23204-41-3,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.243g/mol |
| Monoisotopic Mass | 204.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number