2,2-Dimethyl-2H-chromene-6-carbonitrile - CAS 33143-29-2
Catalog: |
BB046792 |
Product Name: |
2,2-Dimethyl-2H-chromene-6-carbonitrile |
CAS: |
33143-29-2 |
Synonyms: |
2H-1-Benzopyran-6-carbonitrile, 2,2-dimethyl-; 6-Cyano-2,2-dimethylchromene; 2,2-Dimethyl-2H-1-benzopyran-6-carbonitrile; 2,2-Dimethyl-6-cyano-2H-1-benzopyran; 6-Cyano-2,2-dimethyl-2H-benzo-[b]-pyran |
IUPAC Name: | 2,2-dimethylchromene-6-carbonitrile |
Description: | 2,2-Dimethyl-2H-chromene-6-carbonitrile (CAS# 33143-29-2 ) is a useful research chemical. |
Molecular Weight: | 185.22 |
Molecular Formula: | C12H11NO |
Canonical SMILES: | CC1(C=CC2=C(O1)C=CC(=C2)C#N)C |
InChI: | InChI=1S/C12H11NO/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-7H,1-2H3 |
InChI Key: | YDEQIYMIVRCVAH-UHFFFAOYSA-N |
Boiling Point: | 301.0±42.0 °C at 760 mmHg |
Melting Point: | 35-38 °C |
Purity: | ≥ 95 % |
Density: | 1.13 g/cm3 |
Solubility: | Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate |
Appearance: | Pale yellow crystalline solid |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.084063974 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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