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147613-92-1 | 4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl-6-(1-methylethyl)-
CAS No: 147613-92-1 Catalog No: AG001F10 MDL No:
Product Description
Catalog Number:
AG001F10
Chemical Name:
4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl-6-(1-methylethyl)-
CAS Number:
147613-92-1
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
3-hydroxy-2-methyl-6-propan-2-ylquinoline-4-carboxylic acid
InChI:
InChI=1S/C14H15NO3/c1-7(2)9-4-5-11-10(6-9)12(14(17)18)13(16)8(3)15-11/h4-7,16H,1-3H3,(H,17,18)
InChI Key:
GOOXHQZIIGBGAM-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(O)c(C)nc2c1cc(cc2)C(C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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