| CAS Number | 109543-00-2 |
| Catalog Number | AG01AGTC(AGN-PC-00Q0NI) |
| Chemical Name | 3,4-dihydro-2H-1-benzopyran-4-carbonitrile |
| IUPAC Name | 3,4-dihydro-2H-chromene-4-carbonitrile |
| InChI | InChI=1S/C10H9NO/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-6H2 |
| InChI Key | ABAPCDWXFHBYPE-UHFFFAOYSA-N |
| MDL Number | MFCD11641469 |
| Molecular Formula | C10H9NO |
| Molecular Weight | 159.1846 |
| SMILES | N#CC1C2=C(C=CC=C2)OCC1 |
| Synonyms | 3,4-dihydro-2H-1-benzopyran-4-carbonitrile,
109543-00-2,
chroman-4-carbonitrile,
AC1Q4RIO,
SCHEMBL768353,
ABAPCDWXFHBYPE-UHFFFAOYSA-N,
AKOS009458079,
MCULE-2760838067,
NE34962,
EN300-72789,
Z1259339813,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.188g/mol |
| Monoisotopic Mass | 159.068g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number