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(E)-2-(3-(trifluoromethyl)cyclohexylidene)acetic acid

CAS No.:
1344824-71-0
Catalog Number:
AG01EM4O
Molecular Formula:
C9H11F3O2
Molecular Weight:
208.1776
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Product Description
Catalog Number:
AG01EM4O
Chemical Name:
(E)-2-(3-(trifluoromethyl)cyclohexylidene)acetic acid
CAS Number:
1344824-71-0
Molecular Formula:
C9H11F3O2
Molecular Weight:
208.1776
MDL Number:
MFCD31615646
IUPAC Name:
2-[3-(trifluoromethyl)cyclohexylidene]acetic acid
InChI:
InChI=1S/C9H11F3O2/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h5,7H,1-4H2,(H,13,14)
InChI Key:
IHTSSULWRABKPS-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/1\CCCC(C1)C(F)(F)F
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.071g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.18g/mol
Monoisotopic Mass:
208.071g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.4  
Properties