Home Other Building Blocks 3-(pyrazin-2-yl)but-2-enoic acid

3-(pyrazin-2-yl)but-2-enoic acid

CAS No.:
1344843-94-2
Catalog Number:
AG01E9LF
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
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Product Description
Catalog Number:
AG01E9LF
Chemical Name:
3-(pyrazin-2-yl)but-2-enoic acid
CAS Number:
1344843-94-2
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
IUPAC Name:
(E)-3-pyrazin-2-ylbut-2-enoic acid
InChI:
InChI=1S/C8H8N2O2/c1-6(4-8(11)12)7-5-9-2-3-10-7/h2-5H,1H3,(H,11,12)/b6-4+
InChI Key:
PWIXKAYTODDDDL-GQCTYLIASA-N
SMILES:
CC(=CC(=O)O)c1cnccn1
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties