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138569-60-5 | 2-Pyridinecarboxylic acid, 4-methoxy-3,5-dimethyl-
CAS No: 138569-60-5 Catalog No: AG0018R0 MDL No:
Product Description
Catalog Number:
AG0018R0
Chemical Name:
2-Pyridinecarboxylic acid, 4-methoxy-3,5-dimethyl-
CAS Number:
138569-60-5
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
4-methoxy-3,5-dimethylpyridine-2-carboxylic acid
InChI:
InChI=1S/C9H11NO3/c1-5-4-10-7(9(11)12)6(2)8(5)13-3/h4H,1-3H3,(H,11,12)
InChI Key:
YURTZWSYMDBSIA-UHFFFAOYSA-N
SMILES:
COc1c(C)cnc(c1C)C(=O)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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