| CAS Number | 1112184-64-1 |
| Catalog Number | AG01EJPI |
| Chemical Name | 2,3-dihydrobenzofuran-6-carbonitrile |
| IUPAC Name | 2,3-dihydro-1-benzofuran-6-carbonitrile |
| InChI | InChI=1S/C9H7NO/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-2,5H,3-4H2 |
| InChI Key | RJPOMXNJTKGVJD-UHFFFAOYSA-N |
| MDL Number | MFCD18374754 |
| Molecular Formula | C9H7NO |
| Molecular Weight | 145.1580 |
| SMILES | N#CC1=CC2=C(CCO2)C=C1 |
| Synonyms | 2,3-Dihydrobenzofuran-6-carbonitrile,
1112184-64-1,
2,3-dihydro-1-benzofuran-6-carbonitrile,
SCHEMBL3687969,
ZINC83267966,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.161g/mol |
| Monoisotopic Mass | 145.053g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number