Home Other Building Blocks 2,6-Dimethoxyisonicotinic acid

2,6-Dimethoxyisonicotinic acid

CAS No.:
6274-82-4
Catalog Number:
AG0035XJ
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
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Product Description
Catalog Number:
AG0035XJ
Chemical Name:
2,6-Dimethoxyisonicotinic acid
CAS Number:
6274-82-4
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD18257556
IUPAC Name:
2,6-dimethoxypyridine-4-carboxylic acid
InChI:
InChI=1S/C8H9NO4/c1-12-6-3-5(8(10)11)4-7(9-6)13-2/h3-4H,1-2H3,(H,10,11)
InChI Key:
BLBZPNCBYHYDDP-UHFFFAOYSA-N
SMILES:
COc1nc(OC)cc(c1)C(=O)O
NSC Number:
37478
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties