Home Carboxys 3-fluorocyclohexane-1-carboxylic acid, Mixture of diastereomers

3-fluorocyclohexane-1-carboxylic acid, Mixture of diastereomers

CAS No.:
888970-80-7
Catalog Number:
AG01BB92
Molecular Formula:
C7H11FO2
Molecular Weight:
146.1594
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Product Description
Catalog Number:
AG01BB92
Chemical Name:
3-fluorocyclohexane-1-carboxylic acid, Mixture of diastereomers
CAS Number:
888970-80-7
Molecular Formula:
C7H11FO2
Molecular Weight:
146.1594
MDL Number:
MFCD28387882
IUPAC Name:
3-fluorocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C7H11FO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4H2,(H,9,10)
InChI Key:
CMCQHTSLVRCTPC-UHFFFAOYSA-N
SMILES:
FC1CCCC(C1)C(=O)O
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.074g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.161g/mol
Monoisotopic Mass:
146.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties