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2-(Phenethylhydrazono)-propionic acid (HCID 194236)|Huagongshe
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Compound
2-(Phenethylhydrazono)-propionic acid
HCID
194236
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(=NNCCc1ccccc1)C(=O)O
InChIKey
NCQKSUNJAAZVJW-UHFFFAOYSA-N
Molecular formula
C11H14N2O2
Average molar mass
206.24 g/mol
Names & identifiers
Preferred name
2-(Phenethylhydrazono)-propionic acid
IUPAC
2-(2-phenylethylhydrazinylidene)propanoic acid
Names & synonyms
SCHEMBL10525590
NCQKSUNJAAZVJW-UHFFFAOYSA-N
2-(phenethylhydrazono)-propionic acid
Database identifiers
PubChem CID
194236
Properties
Computed structural properties
XLogP
2.8
Topological polar surface area
61.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
15
Formal charge
0
Complexity
233
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Related reactions
4 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
836708
As product
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1130827
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
2163684
As product
uspto-grants-1979_01
HRID
2163685
As product
uspto-grants-1979_01
Compound notes
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