alpha-Acetoxy-(3,4-dimethoxyphenyl)acetonitrile - CAS 13782-40-6
Catalog: |
BB008651 |
Product Name: |
alpha-Acetoxy-(3,4-dimethoxyphenyl)acetonitrile |
CAS: |
13782-40-6 |
Synonyms: |
acetic acid [cyano-(3,4-dimethoxyphenyl)methyl] ester; [cyano-(3,4-dimethoxyphenyl)methyl] acetate |
IUPAC Name: | [cyano-(3,4-dimethoxyphenyl)methyl] acetate |
Description: | alpha-Acetoxy-(3,4-dimethoxyphenyl)acetonitrile (CAS# 13782-40-6 ) is a useful research chemical. |
Molecular Weight: | 235.24 |
Molecular Formula: | C12H13NO4 |
Canonical SMILES: | CC(=O)OC(C#N)C1=CC(=C(C=C1)OC)OC |
InChI: | InChI=1S/C12H13NO4/c1-8(14)17-12(7-13)9-4-5-10(15-2)11(6-9)16-3/h4-6,12H,1-3H3 |
InChI Key: | LKNCDGJBTFTWRS-UHFFFAOYSA-N |
LogP: | 1.83158 |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.0844579 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 68.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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