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Home > Aldehydes > 867267-25-2
867267-25-2 | 2,5-DIMETHOXYISONICOTINALDEHYDE
CAS No: 867267-25-2 Catalog No: AG004K8U MDL No:
Product Description
Catalog Number:
AG004K8U
Chemical Name:
2,5-DIMETHOXYISONICOTINALDEHYDE
CAS Number:
867267-25-2
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
2,5-dimethoxypyridine-4-carbaldehyde
InChI:
InChI=1S/C8H9NO3/c1-11-7-4-9-8(12-2)3-6(7)5-10/h3-5H,1-2H3
InChI Key:
SCZSXGWZEONLMA-UHFFFAOYSA-N
SMILES:
COc1ncc(c(c1)C=O)OC
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:
0.6
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