2-Methyl-2H-1-benzopyran-3-carbonitrile
Basic information
- CAS
57543-73-4- Standard SMILES
CC1Oc2ccccc2C=C1C#N- InChIKey
SFTWTNJNZKFQLN-UHFFFAOYSA-N- Molecular formula
- C11H9NO
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.06841391
Names & identifiers
- Preferred name
- 2-Methyl-2H-1-benzopyran-3-carbonitrile
- IUPAC
- 2-methyl-2H-chromene-3-carbonitrile
- English name
- 2-Methyl-2H-1-benzopyran-3-carbonitrile
- Molecular formula
- C11H9NO
- Molecular weight
- 171.2
Names & synonyms
2-Methyl-2H-1-benzopyran-3-carbonitrileBRN 13688682H-1-BENZOPYRAN-3-CARBONITRILE, 2-METHYL-DTXSID10973099RefChem:263180DTXCID60140055657543-73-4DB-324031
Database identifiers
- CAS
57543-73-4- PubChem CID
- 42442
- DTXSID
DTXSID10973099- Nikkaji
- J132.068H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 273
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Related reactions
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Compound notes
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