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813425-19-3 | 7-Quinolinecarboxylicacid, 1-ethyl-1,2,3,4-tetrahydro-2-oxo-
CAS No: 813425-19-3 Catalog No: AG00532J MDL No:
Product Description
Catalog Number:
AG00532J
Chemical Name:
7-Quinolinecarboxylicacid, 1-ethyl-1,2,3,4-tetrahydro-2-oxo-
CAS Number:
813425-19-3
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
1-ethyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid
InChI:
InChI=1S/C12H13NO3/c1-2-13-10-7-9(12(15)16)4-3-8(10)5-6-11(13)14/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChI Key:
KWWNVRIDFLQYHI-UHFFFAOYSA-N
SMILES:
CCN1C(=O)CCc2c1cc(cc2)C(=O)O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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