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58819-72-0 | 2,6-Dimethoxypyridine-3-carboxaldehyde
CAS No: 58819-72-0 Catalog No: AG003G5B MDL No:MFCD08064048
Product Description
Catalog Number:
AG003G5B
Chemical Name:
2,6-Dimethoxypyridine-3-carboxaldehyde
CAS Number:
58819-72-0
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD08064048
IUPAC Name:
2,6-dimethoxypyridine-3-carbaldehyde
InChI:
InChI=1S/C8H9NO3/c1-11-7-4-3-6(5-10)8(9-7)12-2/h3-5H,1-2H3
InChI Key:
UWHJWEBMUYYQKM-UHFFFAOYSA-N
SMILES:
COc1nc(OC)ccc1C=O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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