| CAS Number | 1471468-84-4 |
| Catalog Number | AG00ASJW(AGN-PC-0WB2SQ) |
| Chemical Name | 5-Oxo-5,6,7,8-tetrahydroquinoline-2-carbonitrile |
| IUPAC Name | 5-oxo-7,8-dihydro-6H-quinoline-2-carbonitrile |
| InChI | InChI=1S/C10H8N2O/c11-6-7-4-5-8-9(12-7)2-1-3-10(8)13/h4-5H,1-3H2 |
| InChI Key | DRUKTSLDCFAWHF-UHFFFAOYSA-N |
| MDL Number | MFCD30183344 |
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.1833 |
| SMILES | O=C1C=2C=CC(=NC2CCC1)C#N |
| Synonyms | 5-Oxo-5,6,7,8-tetrahydroquinoline-2-carbonitrile,
1471468-84-4,
SCHEMBL15437252,
KS-00001QCD,
DRUKTSLDCFAWHF-UHFFFAOYSA-N,
AKOS030253669,
ZINC216663036,
SS-4958,
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| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.187g/mol |
| Monoisotopic Mass | 172.064g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 53.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number