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3,4-Dihydroxybenzaldehyde 500mg

CAT: 0628-A14824-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A14824-500Size:500 mg
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CAS Number
139-85-5

Chemical Information

3,4-Dihydroxybenzaldehyde

3,4-dihydroxybenzaldehyde is a dihydroxybenzaldehyde.

CAS Number139-85-5
PubChem CID8768
IUPAC Name3,4-dihydroxybenzaldehyde
Molecular FormulaC7H6O3
Molecular Weight138.12
XLogP1.3
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity124
SMILES
C1=CC(=C(C=C1C=O)O)O
InChI
InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
InChIKey
IBGBGRVKPALMCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dihydroxybenzaldehyde
CAS: 139-85-5
CID: 8768
Formula: C7H6O3
MW: 138.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.12
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass138.031694049
Monoisotopic Mass138.031694049
Topological Polar Surface Area57.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity124
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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