Home Other Building Blocks 3-(3-fluorophenyl)-2-oxopropanoic acid

3-(3-fluorophenyl)-2-oxopropanoic acid

CAS No.:
95041-89-7
Catalog Number:
AG019MX6
Molecular Formula:
C9H7FO3
Molecular Weight:
182.1485
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Product Description
Catalog Number:
AG019MX6
Chemical Name:
3-(3-fluorophenyl)-2-oxopropanoic acid
CAS Number:
95041-89-7
Molecular Formula:
C9H7FO3
Molecular Weight:
182.1485
MDL Number:
MFCD09729862
IUPAC Name:
3-(3-fluorophenyl)-2-oxopropanoic acid
InChI:
InChI=1S/C9H7FO3/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4H,5H2,(H,12,13)
InChI Key:
GTMNJUMHHOHBIJ-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)CC(=O)C(=O)O
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.15g/mol
Monoisotopic Mass:
182.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties