2-(3-Oxetanylidene)acetonitrile - CAS 1123787-67-6
Catalog: |
BB002954 |
Product Name: |
2-(3-Oxetanylidene)acetonitrile |
CAS: |
1123787-67-6 |
Synonyms: |
2-(oxetan-3-ylidene)acetonitrile |
IUPAC Name: | 2-(oxetan-3-ylidene)acetonitrile |
Description: | 2-(3-Oxetanylidene)acetonitrile (CAS# 1123787-67-6) is a useful research chemical. |
Molecular Weight: | 95.10 |
Molecular Formula: | C5H5NO |
Canonical SMILES: | C1C(=CC#N)CO1 |
InChI: | InChI=1S/C5H5NO/c6-2-1-5-3-7-4-5/h1H,3-4H2 |
InChI Key: | DSKHBLMKLTZNRU-UHFFFAOYSA-N |
Boiling Point: | 216 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.309 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 0.46658 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112979655-A | Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof | 20191216 |
WO-2021121294-A1 | Triazolopyridazine derivative, preparation method therefor, pharmaceutical composition thereof, and use thereof | 20191216 |
KR-102112336-B1 | Heterocyclic compound as a protein kinase inhibitor | 20190812 |
KR-20190096917-A | Heterocylic compound as a protein kinase inhibitor | 20190812 |
KR-20190064555-A | Heterocylic compound as a protein kinase inhibitor | 20190531 |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 95.037113783 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 95.037113783 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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Related Functional Groups
Oxetane/Thietane
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