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10277-06-2 | 8-Quinolinol, ethanedioate (1:?)
CAS No: 10277-06-2 Catalog No: AG0008C0 MDL No:
Product Description
Catalog Number:
AG0008C0
Chemical Name:
8-Quinolinol, ethanedioate (1:?)
CAS Number:
10277-06-2
Molecular Formula:
C11H9NO5
Molecular Weight:
235.1929
IUPAC Name:
oxalic acid;quinolin-8-ol
InChI:
InChI=1S/C9H7NO.C2H2O4/c11-8-5-1-3-7-4-2-6-10-9(7)8;3-1(4)2(5)6/h1-6,11H;(H,3,4)(H,5,6)
InChI Key:
JEHCEJSYYAMFBM-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.Oc1cccc2c1nccc2
NSC Number:
409431
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
235.195g/mol
Monoisotopic Mass:
235.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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