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(2-Methoxycarbonylphenyl)methyl-triphenylphosphanium

HCID 6333191
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
PBLKJTHNVIIGRL-UHFFFAOYSA-N
Molecular formula
C27H24O2P+
Average molar mass
411.5 g/mol

Names & identifiers

Preferred name
(2-Methoxycarbonylphenyl)methyl-triphenylphosphanium
IUPAC
(2-methoxycarbonylphenyl)methyl-triphenylphosphanium

Names & synonyms

SCHEMBL3559598CHEMBL3306586

Database identifiers

PubChem CID
6333191
ChEMBL
CHEMBL3306586
Nikkaji
J2.140.580I

Properties

Computed structural properties

XLogP
6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
30
Formal charge
1
Complexity
483

Related reactions

4 records
New reaction record
HRID 103876 reaction equation
HRID 103876As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 104143 reaction equation
HRID 104143As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 284257 reaction equation
HRID 284257As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1212830 reaction equation
HRID 1212830As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes