4-pyrazol-4-ylbutanenitrile - CAS 84302-84-1
Catalog: |
BB051938 |
Product Name: |
4-pyrazol-4-ylbutanenitrile |
CAS: |
84302-84-1 |
Synonyms: |
4-(4-pyrazolyl)butanonitrile |
IUPAC Name: | 4-(1H-pyrazol-4-yl)butanenitrile |
Molecular Weight: | 135.17 |
Molecular Formula: | C7H9N3 |
Canonical SMILES: | C1=C(C=NN1)CCCC#N |
InChI: | InChI=1S/C7H9N3/c8-4-2-1-3-7-5-9-10-6-7/h5-6H,1-3H2,(H,9,10) |
InChI Key: | KHHKEMLYAJSQJT-UHFFFAOYSA-N |
Purity: | 96% |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.0796473 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.0796473 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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