| CAS Number | 34998-36-2 |
| Catalog Number | AG01BAPF(AGN-PC-0KKWS1) |
| Chemical Name | 4-Methylpent-4-enenitrile |
| IUPAC Name | 4-methylpent-4-enenitrile |
| InChI | InChI=1S/C6H9N/c1-6(2)4-3-5-7/h1,3-4H2,2H3 |
| InChI Key | XGXZPXIIEIAJKL-UHFFFAOYSA-N |
| MDL Number | MFCD00204043 |
| Molecular Formula | C6H9N |
| Molecular Weight | 95.1424 |
| SMILES | CC(CCC#N)=C |
| Synonyms | 4-methylpent-4-enenitrile,
34998-36-2,
AC1MCQ56,
3-methylenebutanecarbonitrile,
4-Pentenenitrile, 4-methyl-,
CTK1B7296,
DTXSID40379520,
ZINC2557576,
MFCD00204043,
DB-004601,
FT-0732998,
4-methyl-4-Pentenenitrile,
ZINC02557576,
CID2775316,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 95.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 95.145g/mol |
| Monoisotopic Mass | 95.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number