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28569-07-5 | 3-Pyridinecarboxylic acid, 5-(hydroxymethyl)-2,4,6-trimethyl-, ethyl ester
CAS No: 28569-07-5 Catalog No: AG002VQF MDL No:
Product Description
Catalog Number:
AG002VQF
Chemical Name:
3-Pyridinecarboxylic acid, 5-(hydroxymethyl)-2,4,6-trimethyl-, ethyl ester
CAS Number:
28569-07-5
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
IUPAC Name:
ethyl 5-(hydroxymethyl)-2,4,6-trimethylpyridine-3-carboxylate
InChI:
InChI=1S/C12H17NO3/c1-5-16-12(15)11-7(2)10(6-14)8(3)13-9(11)4/h14H,5-6H2,1-4H3
InChI Key:
ZYOAVPYEOFPCFE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nc(c(c1C)CO)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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