Home Aldehydes 3,5-Dimethoxyisonicotinaldehyde

3,5-Dimethoxyisonicotinaldehyde

CAS No.:
204862-70-4
Catalog Number:
AG0070NC
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG0070NC
Chemical Name:
3,5-Dimethoxyisonicotinaldehyde
CAS Number:
204862-70-4
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD06410671
IUPAC Name:
3,5-dimethoxypyridine-4-carbaldehyde
InChI:
InChI=1S/C8H9NO3/c1-11-7-3-9-4-8(12-2)6(7)5-10/h3-5H,1-2H3
InChI Key:
WJPFKYRAVTUOIZ-UHFFFAOYSA-N
SMILES:
COc1cncc(c1C=O)OC
Properties
Complexity:
139  
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:
0.3  
Properties