| CAS Number | 13031-13-5 |
| Catalog Number | AG00JRF7(AGN-PC-0PJ6CR) |
| Chemical Name | 2-Methoxy-2-phenylacetonitrile |
| IUPAC Name | 2-methoxy-2-phenylacetonitrile |
| InChI | InChI=1S/C9H9NO/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9H,1H3 |
| InChI Key | HYXJXCNHNYUWAZ-UHFFFAOYSA-N |
| MDL Number | MFCD21684468 |
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.1739 |
| NSC Number | 266224 |
| SMILES | COC(C1=CC=CC=C1)C#N |
| Synonyms | 2-methoxy-2-phenylacetonitrile,
Methoxyphenylacetonitrile,
13031-13-5,
NSC266224,
Benzeneacetonitrile, .alpha.-methoxy-,
methoxyphenyl acetonitrile,
methoxy(phenyl)acetonitrile,
methoxy-phenyl-acetonitrile,
Alpha-methoxybenzyl cyanide,
AC1L81GZ,
SCHEMBL198465,
alpha-Methoxybenzeneacetonitrile,
DTXSID30313099,
HYXJXCNHNYUWAZ-UHFFFAOYSA-N,
AKOS015414251,
NSC-266224,
(Methoxyphenyl)acetonitrile,
CID320056,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.177g/mol |
| Monoisotopic Mass | 147.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number