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3-(3-Formylphenyl)-2-propenenitrile

HCID 73023120
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
N#CC=Cc1cccc(C=O)c1
InChIKey
YWCPURIREYDEIT-UHFFFAOYSA-N
Molecular formula
C10H7NO
Average molar mass
157.17 g/mol

Names & identifiers

Preferred name
3-(3-Formylphenyl)-2-propenenitrile
IUPAC
3-(3-formylphenyl)prop-2-enenitrile

Names & synonyms

SCHEMBL2279521YWCPURIREYDEIT-UHFFFAOYSA-N3-(3-formylphenyl)-2-propenenitrile

Database identifiers

PubChem CID
73023120

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
40.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
223

Related reactions

3 records
New reaction record
HRID 197243 reaction equation
HRID 197243As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 639736 reaction equation
HRID 639736As reactantuspto-grants-2010_04
HRID 949439 reaction equation
HRID 949439As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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