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133077-42-6 | Propanoic acid, 3-(3-fluorophenoxy)-
CAS No: 133077-42-6 Catalog No: AG001488 MDL No:MFCD01931913
Product Description
Catalog Number:
AG001488
Chemical Name:
Propanoic acid, 3-(3-fluorophenoxy)-
CAS Number:
133077-42-6
Molecular Formula:
C9H9FO3
Molecular Weight:
184.1644
MDL Number:
MFCD01931913
IUPAC Name:
3-(3-fluorophenoxy)propanoic acid
InChI:
InChI=1S/C9H9FO3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChI Key:
TWGIQPNNPXKPLC-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1cccc(c1)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
184.166g/mol
Monoisotopic Mass:
184.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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