| CAS Number | 289712-41-0 |
| Catalog Number | AG01C3EN(AGN-PC-03NREC) |
| Chemical Name | Ethyl 3-amino-5-phenylfuran-2-carboxylate |
| IUPAC Name | ethyl 3-amino-5-phenylfuran-2-carboxylate |
| InChI | InChI=1S/C13H13NO3/c1-2-16-13(15)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3 |
| InChI Key | BDBLZEDTINOFHA-UHFFFAOYSA-N |
| MDL Number | MFCD09756012 |
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.2472 |
| SMILES | CCOC(C1=C(N)C=C(C2=CC=CC=C2)O1)=O |
| Synonyms | ethyl 3-amino-5-phenylfuran-2-carboxylate,
289712-41-0,
SCHEMBL13912297,
ZINC38580700,
AKOS033866508,
3-Amino-5-phenyl-2-furancarboxylic acid ethyl ester,
Z2327883863,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.251g/mol |
| Monoisotopic Mass | 231.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number