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132172-97-5 | 2-Pyrazinecarboxylic acid, 2-propen-1-yl ester
CAS No: 132172-97-5 Catalog No: AG0010CL MDL No:
Product Description
Catalog Number:
AG0010CL
Chemical Name:
2-Pyrazinecarboxylic acid, 2-propen-1-yl ester
CAS Number:
132172-97-5
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
IUPAC Name:
prop-2-enyl pyrazine-2-carboxylate
InChI:
InChI=1S/C8H8N2O2/c1-2-5-12-8(11)7-6-9-3-4-10-7/h2-4,6H,1,5H2
InChI Key:
PMUVYSFTPNYAAQ-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)c1cnccn1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Antimycobacterial activity of a series of pyrazinoic acid esters. | Journal of medicinal chemistry 19920403 |
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