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88499-70-1 | 3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo-, octyl ester
CAS No: 88499-70-1 Catalog No: AG0049GK MDL No:
Product Description
Catalog Number:
AG0049GK
Chemical Name:
3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo-, octyl ester
CAS Number:
88499-70-1
Molecular Formula:
C14H21NO4
Molecular Weight:
267.3208
IUPAC Name:
octyl 4-hydroxy-2-oxo-3H-pyridine-5-carboxylate
InChI:
InChI=1S/C14H21NO4/c1-2-3-4-5-6-7-8-19-14(18)11-10-15-13(17)9-12(11)16/h10,16H,2-9H2,1H3
InChI Key:
CMXCEJLAQLOEOV-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)C1=CNC(=O)CC1=O
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.325g/mol
Monoisotopic Mass:
267.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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