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4-[ (E) -2- (2-Methylphenyl) ethenyl]pyridine

CAT: 0926-HAA37031-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-HAA37031-01Size:100 mg
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CAS Number
7370-31-2
MDL Number
MFCD30486629
Smiles
CC1=CC=CC=C1C=CC2=CC=NC=C2
Molecular Formula
C14H13N
Molecular Weight
195.26 g/mol
Controlled
No

Chemical Information

4-[(E)-2-(2-methylphenyl)ethenyl]pyridine
CAS Number7370-31-2
PubChem CID13257449
IUPAC Name4-[(E)-2-(2-methylphenyl)ethenyl]pyridine
Molecular FormulaC14H13N
Molecular Weight195.26
XLogP3.5
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity203
SMILES
CC1=CC=CC=C1/C=C/C2=CC=NC=C2
InChI
InChI=1S/C14H13N/c1-12-4-2-3-5-14(12)7-6-13-8-10-15-11-9-13/h2-11H,1H3/b7-6+
InChIKey
WVDCCQYDLFTGGH-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of 4-[(E)-2-(2-methylphenyl)ethenyl]pyridine
CAS: 7370-31-2
CID: 13257449
Formula: C14H13N
MW: 195.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight195.26
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass195.104799419
Monoisotopic Mass195.104799419
Topological Polar Surface Area12.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes