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Homovanillic Acid

CAT: 0572-TRC-H669500-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H669500-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
306-08-1
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COc1cc(CC(=O)O)ccc1O
Molecular Formula
C9 H10 O4
Molecular Weight
182.17
InChI
InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
Additionnal Information
IUPAC name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Homovanillic Acid

Homovanillic acid is a monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite. It has a role as a mouse metabolite and a human metabolite. It is a member of guaiacols and a monocarboxylic acid. It is functionally related to a (3,4-dihydroxyphenyl)acetic acid. It is a conjugate acid of a homovanillate.

CAS Number306-08-1
PubChem CID1738
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)acetic acid
Molecular FormulaC9H10O4
Molecular Weight182.17
XLogP0.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity180
SMILES
COC1=C(C=CC(=C1)CC(=O)O)O
InChI
InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
InChIKey
QRMZSPFSDQBLIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Homovanillic Acid
CAS: 306-08-1
CID: 1738
Formula: C9H10O4
MW: 182.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.17
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass182.05790880
Monoisotopic Mass182.05790880
Topological Polar Surface Area66.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity180
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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HY-N0384SHomovanillic acid-d3
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