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Acetic acid, phenoxy-, trimethylsilyl ester

HCID 552497
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
21273-08-5
Standard SMILES
C[Si](C)(C)OC(=O)COc1ccccc1
InChIKey
DOSHUJGCYZNXCI-UHFFFAOYSA-N
Molecular formula
C11H16O3Si
Average molar mass
224.33 g/mol
Monoisotopic mass
224.0868709

Names & identifiers

Preferred name
Acetic acid, phenoxy-, trimethylsilyl ester
IUPAC
trimethylsilyl 2-phenoxyacetate
English name
Phenoxyacetic acid trimethylsilyl ester
Molecular formula
C11H16O3Si
Molecular weight
224.33

Names & synonyms

Acetic acid, phenoxy-, trimethylsilyl esterTrimethylsilyl phenoxyacetatePhenoxyacetic acid, TMS derivativePhenoxyacetic acid trimethylsilyl ester21273-08-5Trimethylsilyl phenoxyacetate #SCHEMBL9414564DTXSID80338994ACETIC ACID,PHENOXY,TRIMETHYLSILYL ESTERInChI=1/C11H16O3Si/c1-15(2,3)14-11(12)9-13-10-7-5-4-6-8-10/h4-8H,9H2,1-3HAcetic acid, 2-phenoxy-, trimethylsilyl ester

Database identifiers

CAS
21273-08-5
PubChem CID
552497
DTXSID
DTXSID80338994
Nikkaji
J121.792E

Properties

Computed structural properties

Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Formal charge
0
Complexity
204

Related reactions

2 records
New reaction record
HRID 204903 reaction equation
HRID 204903As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 957224 reaction equation
HRID 957224As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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