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1849-54-3 | 3-Hydroxypyridine-4-carboxaldehyde
CAS No: 1849-54-3 Catalog No: AG0074R6 MDL No:MFCD01318565
Product Description
Catalog Number:
AG0074R6
Chemical Name:
3-Hydroxypyridine-4-carboxaldehyde
CAS Number:
1849-54-3
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
MDL Number:
MFCD01318565
IUPAC Name:
3-hydroxypyridine-4-carbaldehyde
InChI:
InChI=1S/C6H5NO2/c8-4-5-1-2-7-3-6(5)9/h1-4,9H
InChI Key:
NVLPDIRQWJSXLZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccncc1O
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.111g/mol
Monoisotopic Mass:
123.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| NMR studies of novel Schiff bases derived from L-alpha-amino methyl esters and 3-hydroxypyridin-4-carboxaldehyde. | Magnetic resonance in chemistry : MRC 20081001 |
| Syntheses and structural studies of Schiff bases involving hydrogen bonds. | Molecules (Basel, Switzerland) 20060621 |
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