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1142230-96-3 | Benzenepropanoic acid, β-ethyl-2-fluoro-3-hydroxy-
CAS No: 1142230-96-3 Catalog No: AG000AV0 MDL No:MFCD28014570
Product Description
Catalog Number:
AG000AV0
Chemical Name:
Benzenepropanoic acid, β-ethyl-2-fluoro-3-hydroxy-
CAS Number:
1142230-96-3
Molecular Formula:
C11H13FO3
Molecular Weight:
212.2175
MDL Number:
MFCD28014570
IUPAC Name:
3-(2-fluoro-3-hydroxyphenyl)pentanoic acid
InChI:
InChI=1S/C11H13FO3/c1-2-7(6-10(14)15)8-4-3-5-9(13)11(8)12/h3-5,7,13H,2,6H2,1H3,(H,14,15)
InChI Key:
YFLFJZAWBUZONN-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1F)O)CC(=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:
212.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.22g/mol
Monoisotopic Mass:
212.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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