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Compound
Methyl 2-(1-phenylethylimino)acetate
HCID
10104016
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Basic information
Standard SMILES
COC(=O)C=NC(C)c1ccccc1
InChIKey
UXRHYUSIOTYRRH-UHFFFAOYSA-N
Molecular formula
C11H13NO2
Average molar mass
191.23 g/mol
Names & identifiers
Preferred name
Methyl 2-(1-phenylethylimino)acetate
IUPAC
methyl 2-(1-phenylethylimino)acetate
Names & synonyms
SCHEMBL18993197
SCHEMBL28226121
Database identifiers
PubChem CID
10104016
Nikkaji
J1.247.333H
Properties
Computed structural properties
XLogP
2.2
Topological polar surface area
38.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
14
Formal charge
0
Complexity
207
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Related reactions
1 records
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As reactant
As product
As reagent
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As solvent
HRID
282203
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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