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1402232-54-5 | 3-Fluoro-4-(oxan-4-yloxy)benzoic acid
CAS No: 1402232-54-5 Catalog No: AG01FD3L MDL No:
Product Description
Catalog Number:
AG01FD3L
Chemical Name:
3-Fluoro-4-(oxan-4-yloxy)benzoic acid
CAS Number:
1402232-54-5
Molecular Formula:
C12H13FO4
Molecular Weight:
240.2276
IUPAC Name:
3-fluoro-4-(oxan-4-yloxy)benzoic acid
InChI:
InChI=1S/C12H13FO4/c13-10-7-8(12(14)15)1-2-11(10)17-9-3-5-16-6-4-9/h1-2,7,9H,3-6H2,(H,14,15)
InChI Key:
VUIVEVYWYVDVSW-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1OC1CCOCC1)C(=O)O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.23g/mol
Monoisotopic Mass:
240.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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