200,000+ products from a single source!
sales@angenechem.com
125885-50-9 | 3-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-2,5-dioxo-, ethyl ester
CAS No: 125885-50-9 Catalog No: AG000OX8 MDL No:
Product Description
Catalog Number:
AG000OX8
Chemical Name:
3-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-2,5-dioxo-, ethyl ester
CAS Number:
125885-50-9
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
ethyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
InChI:
InChI=1S/C12H13NO4/c1-2-17-12(16)8-6-7-9(13-11(8)15)4-3-5-10(7)14/h6H,2-5H2,1H3,(H,13,15)
InChI Key:
FFOFAQDXXXISML-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2C(=O)CCCc2[nH]c1=O
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.