6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3-one

HCID 14869554
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Basic information

CAS
129718-00-9
Standard SMILES
CC1(C)Oc2ccc(C#N)cc2CC1=O
InChIKey
IGZIPBSFZMFFPU-UHFFFAOYSA-N
Molecular formula
C12H11NO2
Average molar mass
201.22 g/mol
Monoisotopic mass
201.07897859

Names & identifiers

Preferred name
6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3-one
IUPAC
2,2-dimethyl-3-oxo-4H-chromene-6-carbonitrile

Names & synonyms

129718-00-96-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3-oneSCHEMBL8645380DTXSID90564848IGZIPBSFZMFFPU-UHFFFAOYSA-N2,2-Dimethyl-3-oxo-3,4-dihydro-2H-1-benzopyran-6-carbonitrile

Database identifiers

CAS
129718-00-9
PubChem CID
14869554
DTXSID
DTXSID90564848

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
50.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
15

Related reactions

3 records
New reaction record

Compound notes

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