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Benzaldehyde, 5-acetyl-2,4-dihydroxy-

CAT: 1410-M38549Size: 1 EachDry Ice: NoHazardous: No
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Description
Benzaldehyde, 5-acetyl-2,4-dihydroxy-
CAS Number
65579-92-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
———
Molecular Formula
———
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

5-Acetyl-2,4-dihydroxybenzaldehyde
CAS Number65579-92-2
PubChem CID14820155
IUPAC Name5-acetyl-2,4-dihydroxybenzaldehyde
Molecular FormulaC9H8O4
Molecular Weight180.16
XLogP1.5
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity214
SMILES
CC(=O)C1=C(C=C(C(=C1)C=O)O)O
InChI
InChI=1S/C9H8O4/c1-5(11)7-2-6(4-10)8(12)3-9(7)13/h2-4,12-13H,1H3
InChIKey
PCKQJTULGHNLAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Acetyl-2,4-dihydroxybenzaldehyde
CAS: 65579-92-2
CID: 14820155
Formula: C9H8O4
MW: 180.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.16
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass180.04225873
Monoisotopic Mass180.04225873
Topological Polar Surface Area74.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity214
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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