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132172-96-4

132172-96-4 | 2-Pyrazinecarboxylic acid, 4-methylphenyl ester

CAS No: 132172-96-4 Catalog No: AG0010CM MDL No:

Product Description

Catalog Number:
AG0010CM
Chemical Name:
2-Pyrazinecarboxylic acid, 4-methylphenyl ester
CAS Number:
132172-96-4
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
(4-methylphenyl) pyrazine-2-carboxylate
InChI:
InChI=1S/C12H10N2O2/c1-9-2-4-10(5-3-9)16-12(15)11-8-13-6-7-14-11/h2-8H,1H3
InChI Key:
YJPASBYDCPRNPD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OC(=O)c1cnccn1

Properties

Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Literature

Title Journal
Antimycobacterial activity of a series of pyrazinoic acid esters. Journal of medicinal chemistry 19920403

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