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1378826-86-8 | 5-Fluoro-3-n-propoxybenzoic acid
CAS No: 1378826-86-8 Catalog No: AG01FEOD MDL No:
Product Description
Catalog Number:
AG01FEOD
Chemical Name:
5-Fluoro-3-n-propoxybenzoic acid
CAS Number:
1378826-86-8
Molecular Formula:
C10H11FO3
Molecular Weight:
198.1909
IUPAC Name:
3-fluoro-5-propoxybenzoic acid
InChI:
InChI=1S/C10H11FO3/c1-2-3-14-9-5-7(10(12)13)4-8(11)6-9/h4-6H,2-3H2,1H3,(H,12,13)
InChI Key:
LKMIUTBJTLWDLN-UHFFFAOYSA-N
SMILES:
CCCOc1cc(F)cc(c1)C(=O)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.193g/mol
Monoisotopic Mass:
198.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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