| CAS Number | 27784-69-6 |
| Catalog Number | AG00BHRL(AGN-PC-00MXD9) |
| Chemical Name | Cyclobutylideneacetonitrile |
| IUPAC Name | 2-cyclobutylideneacetonitrile |
| InChI | InChI=1S/C6H7N/c7-5-4-6-2-1-3-6/h4H,1-3H2 |
| InChI Key | BRZXIZFUVMXDAQ-UHFFFAOYSA-N |
| MDL Number | MFCD12963766 |
| Molecular Formula | C6H7N |
| Molecular Weight | 93.1265 |
| SMILES | N#CC=C1CCC1 |
| Synonyms | Cyclobutylideneacetonitrile,
2-Cyclobutylideneacetonitrile,
27784-69-6,
cyanomethylenecyclobutane,
2-cyclobutylideneethanenitrile,
CTK7C5538,
DTXSID20543020,
BRZXIZFUVMXDAQ-UHFFFAOYSA-N,
MFCD12963766,
SBB056196,
ZINC40448245,
AKOS017515305,
SB12938,
A1-01107,
Cyclobutylidene-acetonitrile,
ACN-045065,
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| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 93.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 93.129g/mol |
| Monoisotopic Mass | 93.058g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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