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Methyl 4-formylbenzoate (Standard)

CAT: 0804-HY-78000R-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-78000R-01Size:50 mg
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Description
Methyl 4-formylbenzoate (4-Carbomethoxybenzaldehyde) (Standard) is the analytical standard of Methyl 4-formylbenzoate. This product is intended for research and analytical applications. Methyl 4-formylbenzoate is a drug intermediate that can be used to synthesis chalcone amide α-glucosidase inhibitors[1].
CAS Number
1571-08-0
UNSPSC
12352100
Target
Drug Intermediate; Reference Standards
Related Pathways
Others
Field of Research
Metabolic Disease
Smiles
O=C(OC)C1=CC=C(C([H])=O)C=C1
Molecular Formula
C9H8O3
Molecular Weight
164.16
References & Citations
[1]Bergmeyer H U, et al. Biochemical reagents[M]//Methods of Enzymatic Analysis. Academic Press, 1965: 967-1037.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Methyl 4-Formylbenzoate

Methyl-p-formylbenzoate appears as needles (in water) or white powder. (NTP, 1992)

CAS Number1571-08-0
PubChem CID15294
IUPAC Namemethyl 4-formylbenzoate
Molecular FormulaC9H8O3
Molecular Weight164.16
XLogP1.7
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity169
SMILES
COC(=O)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3
InChIKey
FEIOASZZURHTHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-Formylbenzoate
CAS: 1571-08-0
CID: 15294
Formula: C9H8O3
MW: 164.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.16
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass164.047344113
Monoisotopic Mass164.047344113
Topological Polar Surface Area43.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity169
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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sc-235772Methyl 4-formylbenzoate
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