Homoisovanillic acid

CAT: 0013-GTR19163619-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19163619-01Size:500 mg

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Description

Used as pharmaceutical intermediates.

CAS Number

1131-94-8

Purity

>98% (HPLC)

Solubility

Limited solubility

Smiles

COC1=C (O) C=C (CC (O) =O) C=C1

Molecular Formula

C9H10O4

Molecular Weight

182.17

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

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 Number	1131-94-8
PubChem CID	160562
IUPAC Name	2-(3-hydroxy-4-methoxyphenyl)acetic acid
Molecular Formula	C9H10O4
Molecular Weight	182.17
XLogP	0.6
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	180

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

CAS: 1131-94-8

CID: 160562

Formula: C9H10O4

MW: 182.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	182.17
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	182.05790880
Monoisotopic Mass	182.05790880
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	180
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Homoisovanillic acid

Chemical Information

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