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13785-22-3 | 7-Quinolinecarboxaldehyde, 8-hydroxy-5-nitro-
CAS No: 13785-22-3 Catalog No: AG0013YL MDL No:
Product Description
Catalog Number:
AG0013YL
Chemical Name:
7-Quinolinecarboxaldehyde, 8-hydroxy-5-nitro-
CAS Number:
13785-22-3
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
IUPAC Name:
8-hydroxy-5-nitroquinoline-7-carbaldehyde
InChI:
InChI=1S/C10H6N2O4/c13-5-6-4-8(12(15)16)7-2-1-3-11-9(7)10(6)14/h1-5,14H
InChI Key:
OLCXITKGPJWVLU-UHFFFAOYSA-N
SMILES:
O=Cc1cc([N+](=O)[O-])c2c(c1O)nccc2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.168g/mol
Monoisotopic Mass:
218.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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