Home Other Building Blocks 4,6-DIMETHOXYNICOTINIC ACID

4,6-DIMETHOXYNICOTINIC ACID

CAS No.:
1256807-30-3
Catalog Number:
AG01DTKK
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
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Product Description
Catalog Number:
AG01DTKK
Chemical Name:
4,6-DIMETHOXYNICOTINIC ACID
CAS Number:
1256807-30-3
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD18255516
IUPAC Name:
4,6-dimethoxypyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO4/c1-12-6-3-7(13-2)9-4-5(6)8(10)11/h3-4H,1-2H3,(H,10,11)
InChI Key:
FNJNUSNQSRUIOZ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ncc1C(=O)O
Properties
Complexity:
185  
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:
0.7  
Properties