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1344299-66-6 | 3-(Oxan-4-yloxy)pyridine-2-carboxylic acid
CAS No: 1344299-66-6 Catalog No: AG01FB8G MDL No:
Product Description
Catalog Number:
AG01FB8G
Chemical Name:
3-(Oxan-4-yloxy)pyridine-2-carboxylic acid
CAS Number:
1344299-66-6
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
3-(oxan-4-yloxy)pyridine-2-carboxylic acid
InChI:
InChI=1S/C11H13NO4/c13-11(14)10-9(2-1-5-12-10)16-8-3-6-15-7-4-8/h1-2,5,8H,3-4,6-7H2,(H,13,14)
InChI Key:
JQCZOPKBHZBNKE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncccc1OC1CCOCC1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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