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2-Cyano-8-methoxy-3,4-dihydronaphthalene

HCID 15718593
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1cccc2c1C=C(C#N)CC2
InChIKey
SUOBCEXLPHZLAM-UHFFFAOYSA-N
Molecular formula
C12H11NO
Average molar mass
185.22 g/mol
Monoisotopic mass
185.08406397

Names & identifiers

Preferred name
2-Cyano-8-methoxy-3,4-dihydronaphthalene
IUPAC
8-methoxy-3,4-dihydronaphthalene-2-carbonitrile

Names & synonyms

SCHEMBL9361563SUOBCEXLPHZLAM-UHFFFAOYSA-N2-cyano-8-methoxy-3,4-dihydronaphthalene

Database identifiers

PubChem CID
15718593

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
33 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
286

Related reactions

2 records
New reaction record
HRID 106325 reaction equation
HRID 106325As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 654232 reaction equation
HRID 654232As productuspto-grants-1992_07

Compound notes

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