Home Carboxys 2-(trifluoromethyl)-3,6-dihydro-2H-pyran-2-carboxylic acid

2-(trifluoromethyl)-3,6-dihydro-2H-pyran-2-carboxylic acid

CAS No.:
134224-67-2
Catalog Number:
AG01DVB4
Molecular Formula:
C7H7F3O3
Molecular Weight:
196.1239
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Product Description
Catalog Number:
AG01DVB4
Chemical Name:
2-(trifluoromethyl)-3,6-dihydro-2H-pyran-2-carboxylic acid
CAS Number:
134224-67-2
Molecular Formula:
C7H7F3O3
Molecular Weight:
196.1239
MDL Number:
MFCD20653500
IUPAC Name:
6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid
InChI:
InChI=1S/C7H7F3O3/c8-7(9,10)6(5(11)12)3-1-2-4-13-6/h1-2H,3-4H2,(H,11,12)
InChI Key:
GJUFSQIKILNOIT-UHFFFAOYSA-N
SMILES:
OC(=O)C1(OCC=CC1)C(F)(F)F
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.125g/mol
Monoisotopic Mass:
196.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties