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2-Hydroxy-4,6-dimethoxybenzoic Acid

CAT: 0572-TRC-H825565-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H825565-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3187-19-7
Synonyms
2,4-Dimethoxy-6-hydroxybenzoic Acid; 2-Hydroxy-4,6-dimethoxybenzoic Acid; 4,6-Dimethoxysalicylic Acid; NSC 151975
Hazard Statement
Causes skin irritation
Smiles
COc1cc(O)c(C(=O)O)c(OC)c1
Molecular Formula
C9H10O5
Molecular Weight
198.05
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4,6-Dimethoxysalicylic acid
CAS Number3187-19-7
PubChem CID76656
IUPAC Name2-hydroxy-4,6-dimethoxybenzoic acid
Molecular FormulaC9H10O5
Molecular Weight198.17
XLogP1.6
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity205
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)O)O
InChI
InChI=1S/C9H10O5/c1-13-5-3-6(10)8(9(11)12)7(4-5)14-2/h3-4,10H,1-2H3,(H,11,12)
InChIKey
LEIJLTBRQHFMDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Dimethoxysalicylic acid
CAS: 3187-19-7
CID: 76656
Formula: C9H10O5
MW: 198.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.17
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass198.05282342
Monoisotopic Mass198.05282342
Topological Polar Surface Area76 Ų
Heavy Atom Count14
Formal Charge0
Complexity205
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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