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116353-96-9 | 3-Pyridinecarboxylic acid, 3-hydroxy-2,2-dimethylpropyl ester
CAS No: 116353-96-9 Catalog No: AG000C9A MDL No:
Product Description
Catalog Number:
AG000C9A
Chemical Name:
3-Pyridinecarboxylic acid, 3-hydroxy-2,2-dimethylpropyl ester
CAS Number:
116353-96-9
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
(3-hydroxy-2,2-dimethylpropyl) pyridine-3-carboxylate
InChI:
InChI=1S/C11H15NO3/c1-11(2,7-13)8-15-10(14)9-4-3-5-12-6-9/h3-6,13H,7-8H2,1-2H3
InChI Key:
HVIWXCOJZFIKIX-UHFFFAOYSA-N
SMILES:
OCC(COC(=O)c1cccnc1)(C)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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