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P-Hydroxybenzaldehyde

CAT: 0013-GTR19159745-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19159745-03Size:1 g
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Description
4-Hydroxybenzaldehyde shows an inhibitory effect on the GABA transaminase to contribute to an antiepileptic and anticonvulsive activity, and its inhibitory activity was higher than that of valproic acid, a known anticonvulsant.
CAS Number
123-08-0
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (818.87 mM)
Smiles
C1=CC (=CC=C1C=O) O
Molecular Formula
C7H6O2
Molecular Weight
122.12
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

4-Hydroxybenzaldehyde

4-hydroxybenzaldehyde is a hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. It has a role as an EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor, a mouse metabolite and a plant metabolite.

CAS Number123-08-0
PubChem CID126
IUPAC Name4-hydroxybenzaldehyde
Molecular FormulaC7H6O2
Molecular Weight122.12
XLogP1.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity93
SMILES
C1=CC(=CC=C1C=O)O
InChI
InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKey
RGHHSNMVTDWUBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxybenzaldehyde
CAS: 123-08-0
CID: 126
Formula: C7H6O2
MW: 122.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.12
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass122.036779430
Monoisotopic Mass122.036779430
Topological Polar Surface Area37.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity93.1
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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