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Isovaniline 98% Extrapure

CAT: 1278-01480 00025Size: 25 gDry Ice: NoHazardous: No
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CAT#:1278-01480 00025Size:25 g
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CAS Number
621-59-0
HS Code
29121990
Packaging Group
PB

Chemical Information

Isovanillin

Isovanillin is a member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase. It has a role as a HIV protease inhibitor, an antifungal agent, an antidiarrhoeal drug, an EC 1.2.3.1 (aldehyde oxidase) inhibitor, an animal metabolite and a plant metabolite. It is a member of benzaldehydes, a monomethoxybenzene and a member of phenols.

CAS Number621-59-0
PubChem CID12127
IUPAC Name3-hydroxy-4-methoxybenzaldehyde
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity135
SMILES
COC1=C(C=C(C=C1)C=O)O
InChI
InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
InChIKey
JVTZFYYHCGSXJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isovanillin
CAS: 621-59-0
CID: 12127
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity135
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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