200,000+ products from a single source!
sales@angenechem.com
14174-93-7 | 3-Isoquinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-oxo-, ethyl ester
CAS No: 14174-93-7 Catalog No: AG001GZI MDL No:
Product Description
Catalog Number:
AG001GZI
Chemical Name:
3-Isoquinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-oxo-, ethyl ester
CAS Number:
14174-93-7
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
ethyl 4-hydroxy-1-oxo-2H-isoquinoline-3-carboxylate
InChI:
InChI=1S/C12H11NO4/c1-2-17-12(16)9-10(14)7-5-3-4-6-8(7)11(15)13-9/h3-6,14H,2H2,1H3,(H,13,15)
InChI Key:
BOBTXTQSXBWIOR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(=O)c2c(c1O)cccc2
NSC Number:
28791
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.