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2,3-Dihydroxy-4-methoxybenzoic acid

CAT: 0013-GTR19243437-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243437-01Size:100 mg
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Description
2,3-Dihydroxy-4-methoxybenzoic acid is a compound isolated from extracted from sweet cherry fruits (Prunus avium) .
CAS Number
3934-81-4
Purity
>98% (HPLC)
Smiles
C (O) (=O) C1=C (O) C (O) =C (OC) C=C1
Molecular Formula
C8H8O5
Molecular Weight
184.15
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2,3-Dihydroxy-4-methoxybenzoic acid
CAS Number3934-81-4
PubChem CID77534
IUPAC Name2,3-dihydroxy-4-methoxybenzoic acid
Molecular FormulaC8H8O5
Molecular Weight184.15
XLogP1.6
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity193
SMILES
COC1=C(C(=C(C=C1)C(=O)O)O)O
InChI
InChI=1S/C8H8O5/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3,9-10H,1H3,(H,11,12)
InChIKey
YGDRPEIHNMXLJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dihydroxy-4-methoxybenzoic acid
CAS: 3934-81-4
CID: 77534
Formula: C8H8O5
MW: 184.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.15
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass184.03717335
Monoisotopic Mass184.03717335
Topological Polar Surface Area87 Ų
Heavy Atom Count13
Formal Charge0
Complexity193
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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