200,000+ products from a single source!
sales@angenechem.com
158905-14-7 | 2-Pyrazinecarboxylic acid, 2-methylpropyl ester
CAS No: 158905-14-7 Catalog No: AG001QZK MDL No:
Product Description
Catalog Number:
AG001QZK
Chemical Name:
2-Pyrazinecarboxylic acid, 2-methylpropyl ester
CAS Number:
158905-14-7
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
2-methylpropyl pyrazine-2-carboxylate
InChI:
InChI=1S/C9H12N2O2/c1-7(2)6-13-9(12)8-5-10-3-4-11-8/h3-5,7H,6H2,1-2H3
InChI Key:
USUPZWMFSOZLLN-UHFFFAOYSA-N
SMILES:
CC(COC(=O)c1nccnc1)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Quantitative structure-activity relationships for the in vitro antimycobacterial activity of pyrazinoic acid esters. | Journal of medicinal chemistry 19960816 |
| Pyrazinoic acid esters with broad spectrum in vitro antimycobacterial activity. | Journal of medicinal chemistry 19950929 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.