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87545-51-5 | 4-(4-Fluoro-phenyl)-4-hydroxy-butyric acid
CAS No: 87545-51-5 Catalog No: AG01EY25 MDL No:
Product Description
Catalog Number:
AG01EY25
Chemical Name:
4-(4-Fluoro-phenyl)-4-hydroxy-butyric acid
CAS Number:
87545-51-5
Molecular Formula:
C10H11FO3
Molecular Weight:
198.1909
IUPAC Name:
4-(4-fluorophenyl)-4-hydroxybutanoic acid
InChI:
InChI=1S/C10H11FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4,9,12H,5-6H2,(H,13,14)
InChI Key:
UOBOSSRBVANWMD-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)F)CCC(=O)O
Properties
Complexity:
188
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:
2
Isotope Atom Count:
0
Molecular Weight:
198.193g/mol
Monoisotopic Mass:
198.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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