Home Carboxys 4,5-dimethylpyridine-2-carboxylic acid

4,5-dimethylpyridine-2-carboxylic acid

CAS No.:
802256-42-4
Catalog Number:
AG01B1PI
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
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Product Description
Catalog Number:
AG01B1PI
Chemical Name:
4,5-dimethylpyridine-2-carboxylic acid
CAS Number:
802256-42-4
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD11869957
IUPAC Name:
4,5-dimethylpyridine-2-carboxylic acid
InChI:
InChI=1S/C8H9NO2/c1-5-3-7(8(10)11)9-4-6(5)2/h3-4H,1-2H3,(H,10,11)
InChI Key:
BWRKTZNPOWQFRQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc(c(c1)C)C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties