Home Carboxys 4-(difluoromethyl)-1-methoxycyclohexane-1-carboxylic acid

4-(difluoromethyl)-1-methoxycyclohexane-1-carboxylic acid

CAS No.:
1955539-74-8
Catalog Number:
AG01B57H
Molecular Formula:
C9H14F2O3
Molecular Weight:
208.2025
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Product Description
Catalog Number:
AG01B57H
Chemical Name:
4-(difluoromethyl)-1-methoxycyclohexane-1-carboxylic acid
CAS Number:
1955539-74-8
Molecular Formula:
C9H14F2O3
Molecular Weight:
208.2025
MDL Number:
MFCD29991956
IUPAC Name:
4-(difluoromethyl)-1-methoxycyclohexane-1-carboxylic acid
InChI:
InChI=1S/C9H14F2O3/c1-14-9(8(12)13)4-2-6(3-5-9)7(10)11/h6-7H,2-5H2,1H3,(H,12,13)
InChI Key:
JVUGVYQCTHQISB-UHFFFAOYSA-N
SMILES:
COC1(CCC(CC1)C(F)F)C(=O)O
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.091g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.205g/mol
Monoisotopic Mass:
208.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties