Home Other Building Blocks 3-cyclopropyl-2,2-difluoro-3-oxopropanoic acid

3-cyclopropyl-2,2-difluoro-3-oxopropanoic acid

CAS No.:
1803591-19-6
Catalog Number:
AG01BGM9
Molecular Formula:
C6H6F2O3
Molecular Weight:
164.1068
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Product Description
Catalog Number:
AG01BGM9
Chemical Name:
3-cyclopropyl-2,2-difluoro-3-oxopropanoic acid
CAS Number:
1803591-19-6
Molecular Formula:
C6H6F2O3
Molecular Weight:
164.1068
MDL Number:
MFCD28125183
IUPAC Name:
3-cyclopropyl-2,2-difluoro-3-oxopropanoic acid
InChI:
InChI=1S/C6H6F2O3/c7-6(8,5(10)11)4(9)3-1-2-3/h3H,1-2H2,(H,10,11)
InChI Key:
QOCHWUBCFLGEGX-UHFFFAOYSA-N
SMILES:
O=C(C(C(=O)O)(F)F)C1CC1
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.029g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.108g/mol
Monoisotopic Mass:
164.029g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties