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124980-94-5 | Benzenepropanoic acid, 4-fluoro-α-hydroxy-, (αR)-
CAS No: 124980-94-5 Catalog No: AG000MXX MDL No:MFCD03839851
Product Description
Catalog Number:
AG000MXX
Chemical Name:
Benzenepropanoic acid, 4-fluoro-α-hydroxy-, (αR)-
CAS Number:
124980-94-5
Molecular Formula:
C9H9FO3
Molecular Weight:
184.1644
MDL Number:
MFCD03839851
IUPAC Name:
(2R)-3-(4-fluorophenyl)-2-hydroxypropanoic acid
InChI:
InChI=1S/C9H9FO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)/t8-/m1/s1
InChI Key:
YZDVNWXOYGTHJO-MRVPVSSYSA-N
SMILES:
O[C@@H](C(=O)O)Cc1ccc(cc1)F
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
184.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.166g/mol
Monoisotopic Mass:
184.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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