| CAS Number | 13524-75-9 |
| Catalog Number | AG019TRC(AGN-PC-0PKJBH) |
| Chemical Name | 2-(2-Methoxyphenyl)-2-methylpropanenitrile |
| IUPAC Name | 2-(2-methoxyphenyl)-2-methylpropanenitrile |
| InChI | InChI=1S/C11H13NO/c1-11(2,8-12)9-6-4-5-7-10(9)13-3/h4-7H,1-3H3 |
| InChI Key | IKGVYAGZJIQWFU-UHFFFAOYSA-N |
| MDL Number | MFCD11036587 |
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.2270 |
| SMILES | N#CC(C)(C)C1=C(OC)C=CC=C1 |
| Synonyms | 2-(2-methoxyphenyl)-2-methylpropanenitrile,
13524-75-9,
SCHEMBL6558441,
IKGVYAGZJIQWFU-UHFFFAOYSA-N,
ZINC37934408,
AKOS010214232,
MCULE-2940747539,
NE20987,
2-(2-Methoxyphenyl)-2-methylpropionitrile,
2-Methoxy-alpha,alpha-dimethylbenzylcyanide,
Z1331054522,
CID10197920,
2-(2-methoxyphenyl)-2-methyl-propanenitrile,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.231g/mol |
| Monoisotopic Mass | 175.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number