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145548-82-9 | 1H-1,2,3-Triazolo[4,5-h]quinoline-7-carboxylic acid, 9-ethyl-6,9-dihydro-6-oxo-
CAS No: 145548-82-9 Catalog No: AG001D63 MDL No:
Product Description
Catalog Number:
AG001D63
Chemical Name:
1H-1,2,3-Triazolo[4,5-h]quinoline-7-carboxylic acid, 9-ethyl-6,9-dihydro-6-oxo-
CAS Number:
145548-82-9
Molecular Formula:
C12H10N4O3
Molecular Weight:
258.2328
IUPAC Name:
9-ethyl-6-oxo-2H-triazolo[4,5-h]quinoline-7-carboxylic acid
InChI:
InChI=1S/C12H10N4O3/c1-2-16-5-7(12(18)19)11(17)6-3-4-8-9(10(6)16)14-15-13-8/h3-5H,2H2,1H3,(H,18,19)(H,13,14,15)
InChI Key:
ZLSMOIFEDNNGSC-UHFFFAOYSA-N
SMILES:
CCn1cc(C(=O)O)c(=O)c2c1c1[nH]nnc1cc2
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.237g/mol
Monoisotopic Mass:
258.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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