| CAS Number | 50396-61-7 |
| Catalog Number | AG00I91V(AGN-PC-0LTFPB) |
| Chemical Name | 2-Oxochromene-6-carbonitrile |
| IUPAC Name | 2-oxochromene-6-carbonitrile |
| InChI | InChI=1S/C10H5NO2/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5H |
| InChI Key | MCSNBULGQKALQK-UHFFFAOYSA-N |
| MDL Number | MFCD27991690 |
| Molecular Formula | C10H5NO2 |
| Molecular Weight | 171.1522 |
| SMILES | N#Cc1ccc2c(c1)ccc(=O)o2 |
| Synonyms | 6-Cyanocoumarin,
2-oxochromene-6-carbonitrile,
2-OXO-2H-CHROMENE-6-CARBONITRILE,
50396-61-7,
2H-1-Benzopyran-6-carbonitrile, 2-oxo-,
AC1O5AIJ,
SCHEMBL6554937,
MCSNBULGQKALQK-UHFFFAOYSA-N,
MFCD27991690,
ZINC33952309,
2-Oxo-2H-1-benzopyran-6-carbonitrile,
CID6430516,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.155g/mol |
| Monoisotopic Mass | 171.032g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number