| CAS Number | 1344831-69-1 |
| Catalog Number | AG01ELZN |
| Chemical Name | 2-(oxolan-3-ylidene)acetonitrile |
| IUPAC Name | (2Z)-2-(oxolan-3-ylidene)acetonitrile |
| InChI | InChI=1S/C6H7NO/c7-3-1-6-2-4-8-5-6/h1H,2,4-5H2/b6-1- |
| InChI Key | RDWWMQDCKZIDJM-BHQIHCQQSA-N |
| MDL Number | MFCD18333906 |
| Molecular Formula | C6H7NO |
| Molecular Weight | 109.1259 |
| SMILES | N#CC=C1COCC1 |
| Synonyms | 2-[(3E)-oxolan-3-ylidene]acetonitrile,
SCHEMBL16125084,
2-(oxolan-3-ylidene)acetonitrile,
1629072-86-1,
SB12940,
1344831-69-1,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| 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 | 0 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number