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Home > Aldehydes > 1060804-48-9
1060804-48-9 | 5-Hydroxynicotinaldehyde
CAS No: 1060804-48-9 Catalog No: AG003MSW MDL No:MFCD13189119
Product Description
Catalog Number:
AG003MSW
Chemical Name:
5-Hydroxynicotinaldehyde
CAS Number:
1060804-48-9
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
MDL Number:
MFCD13189119
IUPAC Name:
5-hydroxypyridine-3-carbaldehyde
InChI:
InChI=1S/C6H5NO2/c8-4-5-1-6(9)3-7-2-5/h1-4,9H
InChI Key:
LMCXPBAARDWGRD-UHFFFAOYSA-N
SMILES:
Oc1cc(C=O)cnc1
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
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