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1305860-12-1 | 4-(Oxan-4-yloxy)pyridine-2-carboxylic acid
CAS No: 1305860-12-1 Catalog No: AG01FB83 MDL No:
Product Description
Catalog Number:
AG01FB83
Chemical Name:
4-(Oxan-4-yloxy)pyridine-2-carboxylic acid
CAS Number:
1305860-12-1
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
4-(oxan-4-yloxy)pyridine-2-carboxylic acid
InChI:
InChI=1S/C11H13NO4/c13-11(14)10-7-9(1-4-12-10)16-8-2-5-15-6-3-8/h1,4,7-8H,2-3,5-6H2,(H,13,14)
InChI Key:
BMOWIZPWTDQPRC-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc(c1)OC1CCOCC1
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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