| CAS Number | 52873-63-9 |
| Catalog Number | AG00DAW3(AGN-PC-0WB4PX) |
| Chemical Name | (2E)-3-(4-Aminophenyl)-2-phenylacrylic acid |
| IUPAC Name | 3-(4-aminophenyl)-2-phenylprop-2-enoic acid |
| InChI | InChI=1S/C15H13NO2/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-10H,16H2,(H,17,18) |
| InChI Key | JUNKSIZZYOCSGW-UHFFFAOYSA-N |
| MDL Number | MFCD01414440 |
| Molecular Formula | C15H13NO2 |
| Molecular Weight | 239.2692 |
| SMILES | C(/C1C=CC=CC=1)(=C/C1C=CC(=CC=1)N)C(O)=O |
| Synonyms | (E)-3-(4-Aminophenyl)-2-phenylacrylic acid,
3-(4-aminophenyl)-2-phenylprop-2-enoic acid,
52873-63-9,
CHEMBRDG-BB 6981235,
AC1LEZKF,
CTK4J6655,
DTXSID00351266,
52873-64-0,
AKOS030246615,
MCULE-7340743889,
ZERO/006261,
CID695107,
(2E)-3-(4-AMINOPHENYL)-2-PHENYLACRYLIC ACID,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.274g/mol |
| Monoisotopic Mass | 239.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number