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Isohomovanillic acid

CAT: 0013-GTR19176959-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19176959-02Size:1 ml x 10 mM (in DMSO)
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Description
Isohomovanillic acid
CAS Number
1131-94-8
Product Name Alternative
Isohomovanillic acid, iso-HVA, Inhibitor, inhibit, Homoisovanillic acid, Endogenous Metabolite, EndogenousMetabolite
Field of Research
Metabolism Research
Purity
99.04% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (10.98 mM) ; DMSO:55 mg/mL (301.92 mM) ; H2O:49.4 mM
Smiles
O (C) C1=C (O) C=C (CC (O) =O) C=C1
Molecular Formula
C9H10O4
Molecular Weight
182.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Hydroxy-4-methoxybenzeneacetic acid

Isohomovanillic acid is a member of the class of phenylacetic acids that is the 4-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It has a role as a metabolite. It is a member of phenylacetic acids, a member of phenols and an aromatic ether. It is functionally related to a (3,4-dihydroxyphenyl)acetic acid.

CAS Number1131-94-8
PubChem CID160562
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)acetic acid
Molecular FormulaC9H10O4
Molecular Weight182.17
XLogP0.6
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=C(C=C1)CC(=O)O)O
InChI
InChI=1S/C9H10O4/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKey
BWXLCOBSWMQCGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-4-methoxybenzeneacetic acid
CAS: 1131-94-8
CID: 160562
Formula: C9H10O4
MW: 182.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.17
XLogP30.6
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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