Home Other Building Blocks 4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanoic acid

4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanoic acid

CAS No.:
923163-46-6
Catalog Number:
AG019KC8
Molecular Formula:
C8H7F3O4
Molecular Weight:
224.1340
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Product Description
Catalog Number:
AG019KC8
Chemical Name:
4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanoic acid
CAS Number:
923163-46-6
Molecular Formula:
C8H7F3O4
Molecular Weight:
224.1340
MDL Number:
MFCD08691302
IUPAC Name:
4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanoic acid
InChI:
InChI=1S/C8H7F3O4/c9-8(10,11)7(14,4-6(12)13)5-2-1-3-15-5/h1-3,14H,4H2,(H,12,13)
InChI Key:
GAAVCWCVXAPSKM-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(F)(F)F)(c1ccco1)O
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
224.135g/mol
Monoisotopic Mass:
224.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties