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1402232-77-2 | 4-(5-Fluoropyridin-2-yl)oxane-4-carboxylic acid
CAS No: 1402232-77-2 Catalog No: AG01F9UG MDL No:
Product Description
Catalog Number:
AG01F9UG
Chemical Name:
4-(5-Fluoropyridin-2-yl)oxane-4-carboxylic acid
CAS Number:
1402232-77-2
Molecular Formula:
C11H12FNO3
Molecular Weight:
225.2163
IUPAC Name:
4-(5-fluoropyridin-2-yl)oxane-4-carboxylic acid
InChI:
InChI=1S/C11H12FNO3/c12-8-1-2-9(13-7-8)11(10(14)15)3-5-16-6-4-11/h1-2,7H,3-6H2,(H,14,15)
InChI Key:
DMFDKWBKVLRWEH-UHFFFAOYSA-N
SMILES:
Fc1ccc(nc1)C1(CCOCC1)C(=O)O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.219g/mol
Monoisotopic Mass:
225.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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