2-Vinylpyrazine

CAT: 0926-J-640184-02Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-J-640184-02Size:10 g

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CAS Number

4177-16-6

Synonyms

2-Ethenylpyrazine

MDL Number

MFCD00051591

Smiles

C=CC1=NC=CN=C1

Molecular Formula

C6H6N2

Molecular Weight

106.13 g/mol

Controlled

Chemical Information

Vinylpyrazine

CAS Number	4177-16-6
PubChem CID	77840
IUPAC Name	2-ethenylpyrazine
Molecular Formula	C6H6N2
Molecular Weight	106.13
XLogP	0.6
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	80

SMILES

C=CC1=NC=CN=C1

InChI

InChI=1S/C6H6N2/c1-2-6-5-7-3-4-8-6/h2-5H,1H2

InChIKey

KANZWHBYRHQMKZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4177-16-6

CID: 77840

Formula: C6H6N2

MW: 106.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	106.13
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	106.053098200
Monoisotopic Mass	106.053098200
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	80.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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Catalog	Name
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