| CAS Number | 1034470-00-2 |
| Catalog Number | AG019EUP |
| Chemical Name | Ethyl 3-amino-4-cyanobenzoate |
| IUPAC Name | ethyl 3-amino-4-cyanobenzoate |
| InChI | InChI=1S/C10H10N2O2/c1-2-14-10(13)7-3-4-8(6-11)9(12)5-7/h3-5H,2,12H2,1H3 |
| InChI Key | KALFCRPCHIPAAO-UHFFFAOYSA-N |
| MDL Number | MFCD20702986 |
| Molecular Formula | C10H10N2O2 |
| Molecular Weight | 190.1986 |
| SMILES | NC=1C=C(C(=O)OCC)C=CC1C#N |
| Synonyms | ethyl 3-amino-4-cyanobenzoate,
1034470-00-2,
Ethyl 3-amino-4-cyano-benzoate,
SCHEMBL4180274,
KALFCRPCHIPAAO-UHFFFAOYSA-N,
MFCD20702986,
AKOS030527141,
CS-0059792,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.202g/mol |
| Monoisotopic Mass | 190.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number