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Home > Aldehydes > 1279695-20-3
1279695-20-3 | 2-Pyridinecarboxaldehyde, 3-(hydroxymethyl)-
CAS No: 1279695-20-3 Catalog No: AG000XLK MDL No:
Product Description
Catalog Number:
AG000XLK
Chemical Name:
2-Pyridinecarboxaldehyde, 3-(hydroxymethyl)-
CAS Number:
1279695-20-3
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
IUPAC Name:
3-(hydroxymethyl)pyridine-2-carbaldehyde
InChI:
InChI=1S/C7H7NO2/c9-4-6-2-1-3-8-7(6)5-10/h1-3,5,9H,4H2
InChI Key:
UIHNYIUKZNQSNR-UHFFFAOYSA-N
SMILES:
OCc1cccnc1C=O
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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