Home Carboxys 4-(1,1-difluoroethyl)oxane-4-carboxylic acid

4-(1,1-difluoroethyl)oxane-4-carboxylic acid

CAS No.:
1781078-83-8
Catalog Number:
AG01DYWI
Molecular Formula:
C8H12F2O3
Molecular Weight:
194.1759
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Product Description
Catalog Number:
AG01DYWI
Chemical Name:
4-(1,1-difluoroethyl)oxane-4-carboxylic acid
CAS Number:
1781078-83-8
Molecular Formula:
C8H12F2O3
Molecular Weight:
194.1759
MDL Number:
MFCD28556051
IUPAC Name:
4-(1,1-difluoroethyl)oxane-4-carboxylic acid
InChI:
InChI=1S/C8H12F2O3/c1-7(9,10)8(6(11)12)2-4-13-5-3-8/h2-5H2,1H3,(H,11,12)
InChI Key:
QPIWAKWSAQKDGU-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCOCC1)C(F)(F)C
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.178g/mol
Monoisotopic Mass:
194.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties