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219479-18-2 | 2(1H)-Quinolinone, 1-ethyl-4-hydroxy-3-(1H-tetrazol-5-ylcarbonyl)-
CAS No: 219479-18-2 Catalog No: AG006YGA MDL No:
Product Description
Catalog Number:
AG006YGA
Chemical Name:
2(1H)-Quinolinone, 1-ethyl-4-hydroxy-3-(1H-tetrazol-5-ylcarbonyl)-
CAS Number:
219479-18-2
Molecular Formula:
C13H11N5O3
Molecular Weight:
285.2581
IUPAC Name:
1-ethyl-4-hydroxy-3-(2H-tetrazole-5-carbonyl)quinolin-2-one
InChI:
InChI=1S/C13H11N5O3/c1-2-18-8-6-4-3-5-7(8)10(19)9(13(18)21)11(20)12-14-16-17-15-12/h3-6,19H,2H2,1H3,(H,14,15,16,17)
InChI Key:
OSJDGTBABDLNIN-UHFFFAOYSA-N
SMILES:
CCn1c(=O)c(C(=O)c2nnn[nH]2)c(c2c1cccc2)O
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.263g/mol
Monoisotopic Mass:
285.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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