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2-Methoxy-4-methylnicotinonitrile

CAT: 0926-ZFA37971Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-ZFA37971Size:100 mg
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CAS Number
149379-71-5
MDL Number
MFCD09033818
Smiles
CC1=C (C (=NC=C1) OC) C#N
Molecular Formula
C8H8N2O
Molecular Weight
148.16 g/mol
Controlled
No

Chemical Information

2-Methoxy-4-methylnicotinonitrile
CAS Number149379-71-5
PubChem CID11116213
IUPAC Name2-methoxy-4-methylpyridine-3-carbonitrile
Molecular FormulaC8H8N2O
Molecular Weight148.16
XLogP1.2
Topological Polar Surface Area45.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity172
SMILES
CC1=C(C(=NC=C1)OC)C#N
InChI
InChI=1S/C8H8N2O/c1-6-3-4-10-8(11-2)7(6)5-9/h3-4H,1-2H3
InChIKey
GSKLJHRMCCVPSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-4-methylnicotinonitrile
CAS: 149379-71-5
CID: 11116213
Formula: C8H8N2O
MW: 148.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.16
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass148.063662883
Monoisotopic Mass148.063662883
Topological Polar Surface Area45.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity172
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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