| CAS Number | 5338-96-5 |
| Catalog Number | AG019SCU(AGN-PC-0JNA9S) |
| Chemical Name | 3-Vinylbenzonitrile |
| IUPAC Name | 3-ethenylbenzonitrile |
| InChI | InChI=1S/C9H7N/c1-2-8-4-3-5-9(6-8)7-10/h2-6H,1H2 |
| InChI Key | FDIHXBYYQCPWDX-UHFFFAOYSA-N |
| MDL Number | MFCD00671744 |
| Molecular Formula | C9H7N |
| Molecular Weight | 129.1586 |
| NSC Number | 3446 |
| SMILES | C=CC1=CC(C#N)=CC=C1 |
| Synonyms | 3-ethenylbenzonitrile,
3-Cyanostyrene,
5338-96-5,
3-vinylbenzonitrile,
Benzonitrile, 3-ethenyl-,
NSC3446,
AC1Q4RGK,
AC1L58YF,
SCHEMBL471486,
SCHEMBL13158923,
CTK4J7844,
FDIHXBYYQCPWDX-UHFFFAOYSA-N,
NSC-3446,
ZINC1666775,
MFCD00671744,
AKOS006274501,
NE51269,
AR-1F2973,
CID220543,
58869-52-6,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.162g/mol |
| Monoisotopic Mass | 129.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302-H312-H332
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Packing Group
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Precautionary statements
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P280
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UN Code
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Certificate of Analysis
Lot Number