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71255-09-9 | 3-Pyridinecarboxaldehyde,2-methoxy-
CAS No: 71255-09-9 Catalog No: AG006A18 MDL No:MFCD04115112
Product Description
Catalog Number:
AG006A18
Chemical Name:
3-Pyridinecarboxaldehyde,2-methoxy-
CAS Number:
71255-09-9
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD04115112
IUPAC Name:
2-methoxypyridine-3-carbaldehyde
InChI:
InChI=1S/C7H7NO2/c1-10-7-6(5-9)3-2-4-8-7/h2-5H,1H3
InChI Key:
PIFFMIDNNWOQLK-UHFFFAOYSA-N
SMILES:
COc1ncccc1C=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:
0
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Synthesis of pyridine-carboxylate derivatives of hydroxysteroids for liquid chromatography-electrospray ionization-mass spectrometry. | Steroids 20070101 |
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