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1011264-05-3 | 4-Pyridinecarboxylic acid, 2-ethoxy-6-methyl-
CAS No: 1011264-05-3 Catalog No: AG0003SM MDL No:
Product Description
Catalog Number:
AG0003SM
Chemical Name:
4-Pyridinecarboxylic acid, 2-ethoxy-6-methyl-
CAS Number:
1011264-05-3
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
2-ethoxy-6-methylpyridine-4-carboxylic acid
InChI:
InChI=1S/C9H11NO3/c1-3-13-8-5-7(9(11)12)4-6(2)10-8/h4-5H,3H2,1-2H3,(H,11,12)
InChI Key:
PVTGZOHCLMLSPP-UHFFFAOYSA-N
SMILES:
CCOc1nc(C)cc(c1)C(=O)O
Properties
Complexity:
184
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:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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