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3-(4-(Allyloxy)phenyl)-3-(ethoxyimino)propanoic acid

HCID 72531904
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCOc1ccc(C(CC(=O)O)=NOCC)cc1
InChIKey
JAQQXJSFHOPJAV-UHFFFAOYSA-N
Molecular formula
C14H17NO4
Average molar mass
263.29 g/mol

Names & identifiers

Preferred name
3-(4-(Allyloxy)phenyl)-3-(ethoxyimino)propanoic acid
IUPAC
3-ethoxyimino-3-(4-prop-2-enoxyphenyl)propanoic acid

Names & synonyms

SCHEMBL3191086JAQQXJSFHOPJAV-UHFFFAOYSA-N3-(4-(Allyloxy)phenyl)-3-(ethoxyimino)propanoic acid

Database identifiers

PubChem CID
72531904

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
68.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
19
Formal charge
0
Complexity
319

Related reactions

4 records
New reaction record
HRID 190265 reaction equation
HRID 190265As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1229685 reaction equation
HRID 1229685As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2243867 reaction equation
HRID 2243867As productuspto-grants-2010_03
HRID 2243868 reaction equation
HRID 2243868As reactantuspto-grants-2010_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes