2,2-Dimethyl-2H-chromene-6-carbonitrile

C12H11NOCAS 33143-29-2185.23 g/mol

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AlkeneEtherNitrile

Properties

Molecular formula
C12H11NO
Molar mass
185.23 g/mol
Exact mass
185.0841 Da
logP
2.74Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
33143-29-2
SMILES
CC1(C=CC2=C(O1)C=CC(=C2)C#N)C
InChIKey
YDEQIYMIVRCVAH-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-7H,1-2H3

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Names and synonyms

1 names
  • 2,2-Dimethyl-2H-1-benzopyran-6-carbonitrile

Work with 2,2-Dimethyl-2H-chromene-6-carbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hydroxydiphenylamine101-18-8 2-Amino-4-phenylphenol1134-36-7 4-Hydroxydiphenylamine122-37-2 (4-Aminophenoxy)benzene139-59-3 1,2,3,9-Tetrahydro-4H-carbazol-4-one15128-52-6 2-Phenoxyaniline2688-84-8 3-Phenoxybenzenamine3586-12-7 Pirfenidone53179-13-8

Elsewhere

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