| CAS Number | 35121-93-8 |
| Catalog Number | AG01BDII(AGN-PC-0O97JY) |
| Chemical Name | (2E)-3-(4-methylphenyl)prop-2-enenitrile |
| IUPAC Name | 3-(4-methylphenyl)prop-2-enenitrile |
| InChI | InChI=1S/C10H9N/c1-9-4-6-10(7-5-9)3-2-8-11/h2-7H,1H3 |
| InChI Key | WHECQDVQLPVCRX-UHFFFAOYSA-N |
| MDL Number | MFCD00019838 |
| Molecular Formula | C10H9N |
| Molecular Weight | 143.1852 |
| SMILES | CC1=CC=C(/C=C/C#N)C=C1 |
| Synonyms | 3-(4-methylphenyl)prop-2-enenitrile,
35121-93-8,
4-methylcinnamonitrile,
3-(4-Methylphenyl)acrylonitrile,
4-methyl cinnamonitrile,
AC1L1R7X,
CTK1B7198,
CTK8I0033,
WHECQDVQLPVCRX-UHFFFAOYSA-N,
AKOS017436884,
MCULE-2310202139,
2-Propenenitrile, 3-(4-methylphenyl)-, (E)-,
CID34242,
BRN 2324727,
2-Propenenitrile, 3-(4-methylphenyl)-,
28446-70-0,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.189g/mol |
| Monoisotopic Mass | 143.073g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number