2,2-Dimethyl-4-oxochroman-7-carbonitrile - CAS 130200-02-1
Catalog: |
BB007062 |
Product Name: |
2,2-Dimethyl-4-oxochroman-7-carbonitrile |
CAS: |
130200-02-1 |
Synonyms: |
2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-carbonitrile; 2,2-dimethyl-4-oxo-3H-chromene-7-carbonitrile |
IUPAC Name: | 2,2-dimethyl-4-oxo-3H-chromene-7-carbonitrile |
Description: | 2,2-Dimethyl-4-oxochroman-7-carbonitrile (CAS# 130200-02-1) is a useful research chemical. |
Molecular Weight: | 201.22 |
Molecular Formula: | C12H11NO2 |
Canonical SMILES: | CC1(CC(=O)C2=C(O1)C=C(C=C2)C#N)C |
InChI: | InChI=1S/C12H11NO2/c1-12(2)6-10(14)9-4-3-8(7-13)5-11(9)15-12/h3-5H,6H2,1-2H3 |
InChI Key: | CDRFBUBCMVKJFC-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.30208 |
Publication Number | Title | Priority Date |
CN-111132976-A | Compounds, salts thereof and methods for treating diseases | 20170821 |
EP-3672954-A1 | Compounds, salts thereof and methods for treatment of diseases | 20170821 |
KR-20200043409-A | Compounds for the treatment of diseases, salts and methods thereof | 20170821 |
WO-2019040107-A1 | COMPOUNDS, CORRESPONDING SALTS AND METHODS FOR THE TREATMENT OF DISEASES | 20170821 |
JP-2020531505-A | Compounds for the treatment of diseases, their salts, and methods | 20170821 |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.078978594 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 50.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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