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2,5-dihydroxyisophthalaldehyde

CAT: 1299-RG-E242727-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E242727-01Size:10 mg
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CAS Number
109486-06-8
Synonyms
2,5-dihydroxyisophthalaldehyde
Molecular Formula
C8H6O4
Molecular Weight
166.13

Chemical Information

2,5-Dihydroxyisophthalaldehyde
CAS Number109486-06-8
PubChem CID86152892
IUPAC Name2,5-dihydroxybenzene-1,3-dicarbaldehyde
Molecular FormulaC8H6O4
Molecular Weight166.13
XLogP0.7
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
C1=C(C=C(C(=C1C=O)O)C=O)O
InChI
InChI=1S/C8H6O4/c9-3-5-1-7(11)2-6(4-10)8(5)12/h1-4,11-12H
InChIKey
ZZRXSNZXZDXGFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dihydroxyisophthalaldehyde
CAS: 109486-06-8
CID: 86152892
Formula: C8H6O4
MW: 166.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.13
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass166.02660867
Monoisotopic Mass166.02660867
Topological Polar Surface Area74.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
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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