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Methyl 3,5-dihydroxybenzoate

CAT: 0024-sc-228533Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-228533Size:25 g
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CAS Number
2150-44-9

Chemical Information

Methyl 3,5-Dihydroxybenzoate

Methyl 3,5-dihydroxybenzoate has been reported in Viburnum cylindricum with data available.

CAS Number2150-44-9
PubChem CID75076
IUPAC Namemethyl 3,5-dihydroxybenzoate
Molecular FormulaC8H8O4
Molecular Weight168.15
XLogP1.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity158
SMILES
COC(=O)C1=CC(=CC(=C1)O)O
InChI
InChI=1S/C8H8O4/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,9-10H,1H3
InChIKey
RNVFYQUEEMZKLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3,5-Dihydroxybenzoate
CAS: 2150-44-9
CID: 75076
Formula: C8H8O4
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass168.04225873
Monoisotopic Mass168.04225873
Topological Polar Surface Area66.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity158
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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Alternative Products

CatalogName
MBS576410Methyl 3, 5-dihydroxybenzoate
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TYD-00772-01Methyl 2,5-dihydroxybenzoate
RAA84978-01Methyl 2-formyl-3,5-dihydroxybenzoate
TN7155-01Methyl 3-bromo-4,5-dihydroxybenzoate
OR92809-01Methyl 5-bromo-2,3-dihydroxybenzoate
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OR96582-01Methyl 4-bromo-3,5-dihydroxybenzoate

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