| CAS Number | 2007916-61-0 |
| Catalog Number | AG002CYN(AGN-PC-0WNGXB) |
| Chemical Name | 2-(3-Oxocyclobutyl)acetonitrile |
| IUPAC Name | 2-(3-oxocyclobutyl)acetonitrile |
| InChI | InChI=1S/C6H7NO/c7-2-1-5-3-6(8)4-5/h5H,1,3-4H2 |
| InChI Key | PZUCMMIBKLVHSP-UHFFFAOYSA-N |
| MDL Number | MFCD30003024 |
| Molecular Formula | C6H7NO |
| Molecular Weight | 109.1259 |
| SMILES | N#CCC1CC(C1)=O |
| Synonyms | 2-(3-oxocyclobutyl)acetonitrile,
2007916-61-0,
SCHEMBL19253530,
KS-000006DJ,
MFCD30003024,
AKOS026717174,
ZINC409432930,
SB22296,
AS-52987,
CS-0052279,
F2147-4515,
na,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 109.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 109.128g/mol |
| Monoisotopic Mass | 109.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number