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Acetylpyrazine

CAT: 1299-RG-E141350-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E141350-04Size:100 mg
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CAS Number
22047-25-2
Synonyms
1- (pyrazin-2-yl) ethan-1-one
Molecular Formula
C6H6N2O
Molecular Weight
122.13
Product Name Synonym
1- (pyrazin-2-yl) ethan-1-one

Chemical Information

Acetylpyrazine

2-acetylpyrazine is a pyrazine that is substituted by an acetyl group at position 2. It has been identified as one of the volatile flavor constituents in popcorn, bread crust, vinegar, and potato snacks. It has a role as a flavouring agent. It is a member of pyrazines and an aromatic ketone.

CAS Number22047-25-2
PubChem CID30914
IUPAC Name1-pyrazin-2-ylethanone
Molecular FormulaC6H6N2O
Molecular Weight122.12
XLogP0.2
Topological Polar Surface Area42.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity114
SMILES
CC(=O)C1=NC=CN=C1
InChI
InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3
InChIKey
DBZAKQWXICEWNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetylpyrazine
CAS: 22047-25-2
CID: 30914
Formula: C6H6N2O
MW: 122.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.12
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass122.048012819
Monoisotopic Mass122.048012819
Topological Polar Surface Area42.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity114
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

Alternative Products

CatalogName
T5596-01Acetylpyrazine
260186-012-Acetylpyrazine
HY-W007692R-01Acetylpyrazine (Standard)
HY-W007692SAcetylpyrazine-d3
OR1064163-015-Acetylpyrazine-2-carboxamide
OR1071947-015-Acetylpyrazine-2-carbonitrile

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