Home Carboxys 4,4-difluoro-1-methoxycyclohexane-1-carboxylic acid

4,4-difluoro-1-methoxycyclohexane-1-carboxylic acid

CAS No.:
1447942-28-0
Catalog Number:
AG01B58C
Molecular Formula:
C8H12F2O3
Molecular Weight:
194.1759
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Product Description
Catalog Number:
AG01B58C
Chemical Name:
4,4-difluoro-1-methoxycyclohexane-1-carboxylic acid
CAS Number:
1447942-28-0
Molecular Formula:
C8H12F2O3
Molecular Weight:
194.1759
MDL Number:
MFCD28659105
IUPAC Name:
4,4-difluoro-1-methoxycyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H12F2O3/c1-13-7(6(11)12)2-4-8(9,10)5-3-7/h2-5H2,1H3,(H,11,12)
InChI Key:
XOQMXORNKWECKC-UHFFFAOYSA-N
SMILES:
COC1(CCC(CC1)(F)F)C(=O)O
Properties
Complexity:
205  
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:
1.4  
Properties