| CAS Number | 89149-69-9 |
| Catalog Number | AG003XHN(AGN-PC-0JU81A) |
| Chemical Name | 2,5-dimethylfuran-3-carbonitrile |
| IUPAC Name | 2,5-dimethylfuran-3-carbonitrile |
| InChI | InChI=1S/C7H7NO/c1-5-3-7(4-8)6(2)9-5/h3H,1-2H3 |
| InChI Key | HNZSIJYEHRTXHF-UHFFFAOYSA-N |
| MDL Number | MFCD12405644 |
| Molecular Formula | C7H7NO |
| Molecular Weight | 121.1366 |
| SMILES | CC1OC(C)=C(C#N)C=1 |
| Synonyms | 2,5-dimethylfuran-3-carbonitrile,
3-furancarbonitrile, 2,5-dimethyl-,
89149-69-9,
2,5-dimethyl-3-furonitrile,
ACMC-20licn,
AC1LD4AY,
CTK3A0618,
DTXSID00348979,
ZINC32302473,
AKOS012322772,
MCULE-7271144900,
NE24982,
Z1675167311,
InChI=1/C7H7NO/c1-5-3-7(4-8)6(2)9-5/h3H,1-2H,
CID642111,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 121.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 121.139g/mol |
| Monoisotopic Mass | 121.053g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number