| CAS Number | 2007916-55-2 |
| Catalog Number | AG002CYO |
| Chemical Name | 2-(3,3-dimethoxycyclobutyl)acetonitrile |
| IUPAC Name | 2-(3,3-dimethoxycyclobutyl)acetonitrile |
| InChI | InChI=1S/C8H13NO2/c1-10-8(11-2)5-7(6-8)3-4-9/h7H,3,5-6H2,1-2H3 |
| InChI Key | OXJMRJFFIVPXPB-UHFFFAOYSA-N |
| MDL Number | MFCD30003025 |
| Molecular Formula | C8H13NO2 |
| Molecular Weight | 155.1943 |
| SMILES | COC1(CC(CC#N)C1)OC |
| Synonyms | 2-(3,3-dimethoxycyclobutyl)acetonitrile,
2007916-55-2,
KS-000006DN,
MFCD30003025,
AKOS026717175,
ZINC409432779,
SB22329,
AS-52985,
CS-0052291,
F2147-4516,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.197g/mol |
| Monoisotopic Mass | 155.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number