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(RS) 2-hydroxy-4-indanecarbonitrile

HCID 12857774
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
N#Cc1cccc2c1CC(O)C2
InChIKey
IQDXRMWGBIMDLP-UHFFFAOYSA-N
Molecular formula
C10H9NO
Average molar mass
159.18 g/mol

Names & identifiers

Preferred name
(RS) 2-hydroxy-4-indanecarbonitrile
IUPAC
2-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile

Names & synonyms

SCHEMBL9456190IQDXRMWGBIMDLP-UHFFFAOYSA-N(RS) 2-hydroxy-4-indanecarbonitrile

Database identifiers

PubChem CID
12857774

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
44 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
217

Related reactions

2 records
New reaction record
HRID 93958 reaction equation
HRID 93958As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1646609 reaction equation
HRID 1646609As productuspto-grants-1993_01

Compound notes

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