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1635407-37-2 | 6-Quinolinecarboxylic acid, 3-(1-methyl-1H-pyrazol-4-yl)-
CAS No: 1635407-37-2 Catalog No: AG001U7I MDL No:
Product Description
Catalog Number:
AG001U7I
Chemical Name:
6-Quinolinecarboxylic acid, 3-(1-methyl-1H-pyrazol-4-yl)-
CAS Number:
1635407-37-2
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
3-(1-methylpyrazol-4-yl)quinoline-6-carboxylic acid
InChI:
InChI=1S/C14H11N3O2/c1-17-8-12(7-16-17)11-5-10-4-9(14(18)19)2-3-13(10)15-6-11/h2-8H,1H3,(H,18,19)
InChI Key:
PSYLXNSIVMPPBR-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)c1cnc2c(c1)cc(cc2)C(=O)O
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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