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4-Acetoxymethylindole

HCID 20132383
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)OCc1cccc2[nH]ccc12
InChIKey
VOFVIRFXBHCJDU-UHFFFAOYSA-N
Molecular formula
C11H11NO2
Average molar mass
189.21 g/mol

Names & identifiers

Preferred name
4-Acetoxymethylindole
IUPAC
1H-indol-4-ylmethyl acetate

Names & synonyms

4-Acetoxymethylindole4-Acetoxymethylindol eSCHEMBL10376665VOFVIRFXBHCJDU-UHFFFAOYSA-N

Database identifiers

PubChem CID
20132383

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
42.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
217

Related reactions

6 records
New reaction record
HRID 569077 reaction equation
HRID 569077As productuspto-grants-1988_03
HRID 569078 reaction equation
HRID 569078As reactantuspto-grants-1988_03
HRID 845230 reaction equation
HRID 845230As productuspto-grants-1988_07
HRID 845231 reaction equation
HRID 845231As reactantuspto-grants-1988_07
HRID 1127851 reaction equation
HRID 1127851As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1205748 reaction equation
HRID 1205748As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes