HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Methyl 3-(4-(allyloxy)phenyl)-3-(ethoxyimino)propanoate

HCID 72531910
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCOc1ccc(C(CC(=O)OC)=NOCC)cc1
InChIKey
XKCSBCLMRYSCTB-UHFFFAOYSA-N
Molecular formula
C15H19NO4
Average molar mass
277.31 g/mol

Names & identifiers

Preferred name
Methyl 3-(4-(allyloxy)phenyl)-3-(ethoxyimino)propanoate
IUPAC
methyl 3-ethoxyimino-3-(4-prop-2-enoxyphenyl)propanoate

Names & synonyms

SCHEMBL3202215XKCSBCLMRYSCTB-UHFFFAOYSA-NMethyl 3-(4-(allyloxy)phenyl)-3-(ethoxyimino)propanoate

Database identifiers

PubChem CID
72531910

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
57.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
20
Formal charge
0
Complexity
333

Related reactions

4 records
New reaction record
HRID 151011 reaction equation
HRID 151011As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 190265 reaction equation
HRID 190265As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2243866 reaction equation
HRID 2243866As productuspto-grants-2010_03
HRID 2243867 reaction equation
HRID 2243867As reactantuspto-grants-2010_03

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes