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4-Isopropylbenzoic acid

CAT: 0013-GTR19244232-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244232-01Size:100 mg
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Description
4-Isopropylbenzoic acid, an aromatic monoterpenoid, is isolated from the stem bark of Bridelia retusa. 4-Isopropylbenzoic acid exhibits antifungal activities. 4-Isopropylbenzoic acid is also a reversible and uncompetitive inhibitor of mushroom tyrosinase.
CAS Number
536-66-3
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (609.01 mM; Ultrasonic)
Smiles
CC (C) C1=CC=C (C=C1) C (O) =O
Molecular Formula
C10H12O2
Molecular Weight
164.2
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

4-Isopropylbenzoic Acid

P-cumic acid is a cumic acid that consists of benzoic acid substituted by an isopropyl group at position 4. It has a role as a plant metabolite. It is a conjugate acid of a p-cumate.

CAS Number536-66-3
PubChem CID10820
IUPAC Name4-propan-2-ylbenzoic acid
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP3.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity155
SMILES
CC(C)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKey
CKMXAIVXVKGGFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Isopropylbenzoic Acid
CAS: 536-66-3
CID: 10820
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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