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22581-33-5 | 2-(Trifluoromethyl)cyclopropanecarboxylic acid
CAS No: 22581-33-5 Catalog No: AG003AI8 MDL No:MFCD13705407
Product Description
Catalog Number:
AG003AI8
Chemical Name:
2-(Trifluoromethyl)cyclopropanecarboxylic acid
CAS Number:
22581-33-5
Molecular Formula:
C5H5F3O2
Molecular Weight:
154.0872
MDL Number:
MFCD13705407
IUPAC Name:
2-(trifluoromethyl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C5H5F3O2/c6-5(7,8)3-1-2(3)4(9)10/h2-3H,1H2,(H,9,10)
InChI Key:
GSNLYQDUCHEFFQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC1C(F)(F)F
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.024g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.088g/mol
Monoisotopic Mass:
154.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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