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1060809-85-9 | 4-Hydroxypicolinaldehyde
CAS No: 1060809-85-9 Catalog No: AG007E4W MDL No:MFCD13189290
Product Description
Catalog Number:
AG007E4W
Chemical Name:
4-Hydroxypicolinaldehyde
CAS Number:
1060809-85-9
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
MDL Number:
MFCD13189290
IUPAC Name:
4-oxo-1H-pyridine-2-carbaldehyde
InChI:
InChI=1S/C6H5NO2/c8-4-5-3-6(9)1-2-7-5/h1-4H,(H,7,9)
InChI Key:
KBYYSTCVMSMKSP-UHFFFAOYSA-N
SMILES:
Oc1cc(C=O)ncc1
Properties
Complexity:
203
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:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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