| CAS Number | 22727-21-5 |
| Catalog Number | AG00BJ7B(AGN-PC-0NIE7W) |
| Chemical Name | 2-Methylfuran-3-carbonitrile |
| IUPAC Name | 2-methylfuran-3-carbonitrile |
| InChI | InChI=1S/C6H5NO/c1-5-6(4-7)2-3-8-5/h2-3H,1H3 |
| InChI Key | GSOVLYHQRYDZES-UHFFFAOYSA-N |
| MDL Number | MFCD03701392 |
| Molecular Formula | C6H5NO |
| Molecular Weight | 107.1100 |
| SMILES | CC1=C(C#N)C=CO1 |
| Synonyms | 2-Methylfuran-3-carbonitrile,
22727-21-5,
SCHEMBL2614471,
3-Furancarbonitrile, 2-methyl-,
CTK8C2780,
DTXSID40484825,
1402AB,
ANW-68989,
ZINC40537992,
AKOS012322771,
AJ-103379,
TC-157734,
Z2130658032,
C6H5NO,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 107.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 107.112g/mol |
| Monoisotopic Mass | 107.037g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number