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18325-56-9 | 2,6-Pyridinedicarboxaldehyde, 1-oxide
CAS No: 18325-56-9 Catalog No: AG0027G9 MDL No:
Product Description
Catalog Number:
AG0027G9
Chemical Name:
2,6-Pyridinedicarboxaldehyde, 1-oxide
CAS Number:
18325-56-9
Molecular Formula:
C7H5NO3
Molecular Weight:
151.1195
IUPAC Name:
1-oxidopyridin-1-ium-2,6-dicarbaldehyde
InChI:
InChI=1S/C7H5NO3/c9-4-6-2-1-3-7(5-10)8(6)11/h1-5H
InChI Key:
PKILPHAKNOPPKR-UHFFFAOYSA-N
SMILES:
O=Cc1cccc([n+]1[O-])C=O
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.121g/mol
Monoisotopic Mass:
151.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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