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Methyl 6-methylnicotinate

CAT: 0013-GTR19251492Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19251492Size:5 g
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Description
Methyl 6-methylnicotinate
CAS Number
5470-70-2
Smiles
COC (=O) C1=CN=C (C) C=C1
Molecular Formula
C8H9NO2
Molecular Weight
151.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 6-methylnicotinate
CAS Number5470-70-2
PubChem CID231548
IUPAC Namemethyl 6-methylpyridine-3-carboxylate
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP1.2
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity147
SMILES
CC1=NC=C(C=C1)C(=O)OC
InChI
InChI=1S/C8H9NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h3-5H,1-2H3
InChIKey
VYPPZXZHYDSBSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 6-methylnicotinate
CAS: 5470-70-2
CID: 231548
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.16
XLogP31.2
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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