| CAS Number | 467462-55-1 |
| Catalog Number | AG019WV2(AGN-PC-01ZMC7) |
| Chemical Name | 3-Propoxybenzonitrile |
| IUPAC Name | 3-propoxybenzonitrile |
| InChI | InChI=1S/C10H11NO/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7H,2,6H2,1H3 |
| InChI Key | BVVMPMWDXLECHD-UHFFFAOYSA-N |
| MDL Number | MFCD09703612 |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2004 |
| SMILES | CCCOC1=CC(C#N)=CC=C1 |
| Synonyms | 3-propoxybenzonitrile,
467462-55-1,
Benzonitrile, 3-propoxy-,
3-Propoxy-benzonitrile,
AC1Q2YDB,
SCHEMBL2536496,
CTK6E6149,
BVVMPMWDXLECHD-UHFFFAOYSA-N,
ZINC11947463,
AKOS000113902,
MCULE-9965621872,
NE14291,
BB 0244124,
EN300-53229,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.204g/mol |
| Monoisotopic Mass | 161.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number