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23589-03-9 | 2-Furanpropanoic acid, 5-(4-fluorophenyl)-
CAS No: 23589-03-9 Catalog No: AG002NS9 MDL No:MFCD03119605
Product Description
Catalog Number:
AG002NS9
Chemical Name:
2-Furanpropanoic acid, 5-(4-fluorophenyl)-
CAS Number:
23589-03-9
Molecular Formula:
C13H11FO3
Molecular Weight:
234.2230
MDL Number:
MFCD03119605
IUPAC Name:
3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid
InChI:
InChI=1S/C13H11FO3/c14-10-3-1-9(2-4-10)12-7-5-11(17-12)6-8-13(15)16/h1-5,7H,6,8H2,(H,15,16)
InChI Key:
PEMSGNPALUHKCC-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(o1)c1ccc(cc1)F
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.226g/mol
Monoisotopic Mass:
234.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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