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583-24-4 | 3-Fluoro-4-n-pentoxybenzoic acid
CAS No: 583-24-4 Catalog No: AG01EWJC MDL No:
Product Description
Catalog Number:
AG01EWJC
Chemical Name:
3-Fluoro-4-n-pentoxybenzoic acid
CAS Number:
583-24-4
Molecular Formula:
C12H15FO3
Molecular Weight:
226.2441
IUPAC Name:
3-fluoro-4-pentoxybenzoic acid
InChI:
InChI=1S/C12H15FO3/c1-2-3-4-7-16-11-6-5-9(12(14)15)8-10(11)13/h5-6,8H,2-4,7H2,1H3,(H,14,15)
InChI Key:
GTGCISGNMBGRAW-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1F)C(=O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.247g/mol
Monoisotopic Mass:
226.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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