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288151-72-4 | 4-Quinolinecarboxylic acid, 8-ethyl-2-methyl-
CAS No: 288151-72-4 Catalog No: AG002WMN MDL No:MFCD03946400
Product Description
Catalog Number:
AG002WMN
Chemical Name:
4-Quinolinecarboxylic acid, 8-ethyl-2-methyl-
CAS Number:
288151-72-4
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
MDL Number:
MFCD03946400
IUPAC Name:
8-ethyl-2-methylquinoline-4-carboxylic acid
InChI:
InChI=1S/C13H13NO2/c1-3-9-5-4-6-10-11(13(15)16)7-8(2)14-12(9)10/h4-7H,3H2,1-2H3,(H,15,16)
InChI Key:
JNKCJGCFXQNMTM-UHFFFAOYSA-N
SMILES:
CCc1cccc2c1nc(C)cc2C(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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