4-Acetylphenyl pivalate

HCID 271123
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Basic information

CAS
72734-76-0
Standard SMILES
CC(=O)c1ccc(OC(=O)C(C)(C)C)cc1
InChIKey
VJKMJVAOMRMDGU-UHFFFAOYSA-N
Molecular formula
C13H16O3
Average molar mass
220.26 g/mol
Monoisotopic mass
220.10994437

Names & identifiers

Preferred name
4-Acetylphenyl pivalate
IUPAC
(4-acetylphenyl) 2,2-dimethylpropanoate

Names & synonyms

4-acetylphenyl pivalate72734-76-0DTXSID80297153RefChem:289669DTXCID70248290Propanoic acid,2,2-dimethyl-, 4-acetylphenyl ester4-acetylphenyl 2,2-dimethylpropanoate(4-acetylphenyl) 2,2-dimethylpropanoateNSC114545F3098-7611SCHEMBL11336605AKOS002258725
Show more names
NSC-114545ST50201434SR-01000278165SR-01000278165-1

Database identifiers

CAS
72734-76-0
PubChem CID
271123
DTXSID
DTXSID80297153
Nikkaji
J748.115B

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16

Related reactions

3 records
New reaction record

Compound notes

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