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Syringic-d6 Acid

CAT: 0572-TRC-S920027-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S920027-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
84759-06-8
Synonyms
4-Hydroxy-3,5-dimethoxy-benzoic-d6 Acid; 2,6-Dimethoxy-4-carboxyphenol
Hazard Statement
Causes skin irritation.
Smiles
O=C(O)C1=CC(OC([2H])([2H])[2H])=C(O)C(OC([2H])([2H])[2H])=C1
Molecular Formula
C9H4D6O5
Molecular Weight
204.21
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)/i1D3,2D3
Additionnal Information
IUPAC name: 4-hydroxy-3,5-bis(methoxy-d3)benzoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Syringic acid-d6
CAS Number84759-06-8
PubChem CID131708654
IUPAC Name4-hydroxy-3,5-bis(trideuteriomethoxy)benzoic acid
Molecular FormulaC9H10O5
Molecular Weight204.21
XLogP1
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity191
SMILES
[2H]C([2H])([2H])OC1=CC(=CC(=C1O)OC([2H])([2H])[2H])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)/i1D3,2D3
InChIKey
JMSVCTWVEWCHDZ-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Syringic acid-d6
CAS: 84759-06-8
CID: 131708654
Formula: C9H10O5
MW: 204.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.21
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass204.09048389
Monoisotopic Mass204.09048389
Topological Polar Surface Area76 Ų
Heavy Atom Count14
Formal Charge0
Complexity191
Isotope Atom Count6
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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