(2E)-4,4-Dimethoxy-3-methylbut-2-enenitrile - CAS 84586-19-6
Catalog: |
BB066652 |
Product Name: |
(2E)-4,4-Dimethoxy-3-methylbut-2-enenitrile |
CAS: |
84586-19-6 |
Synonyms: |
(E)-4,4-Dimethoxy-3-methylbut-2-enenitrile; (2E)-4,4-DIMETHOXY-3-METHYLBUT-2-ENENITRILE; (E)-3-Methyl-4,4-dimethoxy-2-butenenitrile |
IUPAC Name: | (E)-4,4-dimethoxy-3-methylbut-2-enenitrile |
Description: | (2E)-4,4-Dimethoxy-3-methylbut-2-enenitrile |
Molecular Weight: | 141.17 |
Molecular Formula: | C7H11NO2 |
Canonical SMILES: | CC(=CC#N)C(OC)OC |
InChI: | InChI=1S/C7H11NO2/c1-6(4-5-8)7(9-2)10-3/h4,7H,1-3H3/b6-4+ |
InChI Key: | VCEORIKGLMGDRB-GQCTYLIASA-N |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 141.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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