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Syringic Acid

CAT: 1489-S9780-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:1489-S9780-02Size:25 g
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CAS Number
530-57-4
Purity
≥98.0%

Chemical Information

Syringic Acid

Syringic acid is a dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid. It has a role as a plant metabolite. It is a member of benzoic acids, a member of phenols and a dimethoxybenzene. It is functionally related to a gallic acid. It is a conjugate acid of a syringate.

CAS Number530-57-4
PubChem CID10742
IUPAC Name4-hydroxy-3,5-dimethoxybenzoic acid
Molecular FormulaC9H10O5
Molecular Weight198.17
XLogP1
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity191
SMILES
COC1=CC(=CC(=C1O)OC)C(=O)O
InChI
InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
InChIKey
JMSVCTWVEWCHDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Syringic Acid
CAS: 530-57-4
CID: 10742
Formula: C9H10O5
MW: 198.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight198.17
XLogP31
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
Complexity191
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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