3-(Tert-butyl)-4-isopropoxybenzoic acid

HCID 21474552
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Basic information

Standard SMILES
CC(C)Oc1ccc(C(=O)O)cc1C(C)(C)C
InChIKey
GXHIIHJMCRYQLP-UHFFFAOYSA-N
Molecular formula
C14H20O3
Average molar mass
236.31 g/mol
Monoisotopic mass
236.1412445

Names & identifiers

Preferred name
3-(Tert-butyl)-4-isopropoxybenzoic acid
IUPAC
3-tert-butyl-4-propan-2-yloxybenzoic acid

Names & synonyms

142651-36-33-(Tert-butyl)-4-isopropoxybenzoic acidSCHEMBL8839093MFCD193090973-(t-Butyl)-4-isopropoxybenZoic acidDA-23221H77280

Database identifiers

PubChem CID
21474552

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17

Related reactions

1 records
New reaction record

Linked notes

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