3-Tert-pentylbenzoic acid

HCID 8167115
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Basic information

Standard SMILES
CCC(C)(C)c1cccc(C(=O)O)c1
InChIKey
OSARIWRAPRUKOT-UHFFFAOYSA-N
Molecular formula
C12H16O2
Average molar mass
192.25 g/mol

Names & identifiers

Preferred name
3-Tert-pentylbenzoic acid
IUPAC
3-(2-methylbutan-2-yl)benzoic acid

Names & synonyms

3-tert-pentylbenzoic acid3-(1,1-dimethylpropyl)benzoic acidAE-562/43287047SCHEMBL120251OSARIWRAPRUKOT-UHFFFAOYSA-NSBB091475AKOS006330672DB-377744878745-17-6

Database identifiers

PubChem CID
8167115
Nikkaji
J559.305K

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
14

Related reactions

2 records
New reaction record

Linked notes

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