Home Carboxys 4-(difluoromethylidene)cyclohexane-1-carboxylic acid

4-(difluoromethylidene)cyclohexane-1-carboxylic acid

CAS No.:
1254116-02-3
Catalog Number:
AG01EM23
Molecular Formula:
C8H10F2O2
Molecular Weight:
176.1606
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Product Description
Catalog Number:
AG01EM23
Chemical Name:
4-(difluoromethylidene)cyclohexane-1-carboxylic acid
CAS Number:
1254116-02-3
Molecular Formula:
C8H10F2O2
Molecular Weight:
176.1606
MDL Number:
MFCD28363272
IUPAC Name:
4-(difluoromethylidene)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H10F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h6H,1-4H2,(H,11,12)
InChI Key:
ALIYNSXSGZVAGX-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(=C(F)F)CC1
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.065g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.163g/mol
Monoisotopic Mass:
176.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties