(Ethoxycarbonylmethyl)triphenylphosphonium

HCID 73732

Notes Reactions

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Basic information

CAS: 42809-80-3
Standard SMILES: CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: BDBCCQWLFKVQRT-UHFFFAOYSA-N
Molecular formula: C22H22O2P+
Average molar mass: 349.4 g/mol

Names & identifiers

Preferred name: (Ethoxycarbonylmethyl)triphenylphosphonium
IUPAC: (2-ethoxy-2-oxoethyl)-triphenylphosphanium

Names & synonyms

QPP7CWR46K(Ethoxycarbonylmethyl)triphenylphosphonium42809-80-3RefChem:1050962(2-ethoxy-2-oxoethyl)(triphenyl)phosphonium(2-Ethoxy-2-oxoethyl)triphenylphosphoniumSCHEMBL65904SCHEMBL9984731SCHEMBL31693726BDBCCQWLFKVQRT-UHFFFAOYSA-NULPAFXWDUMLWIV-UHFFFAOYSA-NSTL590178

Show more names

ethoxycarbonylmethyl-triphenyl-phosphonium(2-ethoxy-2-oxoethyl)triphenylphosphoranePhosphonium, (2-ethoxy-2-oxoethyl)triphenyl-AB00722968-01

Database identifiers

CAS: 42809-80-3
PubChem CID: 73732
UNII: QPP7CWR46K
Nikkaji: J2.992.347G、J231.946B、J3.396.669E

Properties

Computed structural propertiesFilling in

XLogP: 4.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 1
Complexity: 359

Related reactions

9 records

New reaction record

HRID 96647As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 301181As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 312098As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 319681As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 942496As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1221243As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2141746As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2157169As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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