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Methyl 4-Methylnicotinate

CAT: 0572-TRC-M321140-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M321140-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33402-75-4
Synonyms
Methyl 4-Methylnicotinate; 3-Pyridinecarboxylic acid, 4-methyl-, methyl ester; Nicotinic acid, 4-methyl-, methyl ester (8CI); 4-Methyl-3-pyridinecarboxylic acid methyl ester; 4-Methylnicotinic acid methyl ester; 4-Methylpyridine-3-carboxylic acid methyl ester; Methyl 4-methyl-3-pyr
Hazard Statement
No Data Available
Smiles
COC(=O)c1cnccc1C
Molecular Formula
C8 H9 N O2
Molecular Weight
151.163
InChI
InChI=1S/C8H9NO2/c1-6-3-4-9-5-7(6)8(10)11-2/h3-5H,1-2H3
Additionnal Information
IUPAC name: methyl 4-methylpyridine-3-carboxylate
Shipping Conditions
Room Temperature

Chemical Information

Methyl 4-methylnicotinate
CAS Number33402-75-4
PubChem CID10877301
IUPAC Namemethyl 4-methylpyridine-3-carboxylate
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP1.1
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity147
SMILES
CC1=C(C=NC=C1)C(=O)OC
InChI
InChI=1S/C8H9NO2/c1-6-3-4-9-5-7(6)8(10)11-2/h3-5H,1-2H3
InChIKey
XEXPJABJVHEOCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-methylnicotinate
CAS: 33402-75-4
CID: 10877301
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.16
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass151.063328530
Monoisotopic Mass151.063328530
Topological Polar Surface Area39.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity147
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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Alternative Products

CatalogName
164918Methyl 4-Methylnicotinate
LKB37205Methyl 4-chloro-6-methylnicotinate
OR1096650Methyl 5-chloro-4-methylnicotinate
OR1083142Methyl 5-methoxy-4-methylnicotinate
OR1067738-01Methyl 6-formyl-4-methylnicotinate
OR61462-01Methyl 4-bromo-6-methylnicotinate
OR74117-01Methyl 6-chloro-4-methylnicotinate
OR42282-01Methyl 6-amino-4-methylnicotinate
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