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277756-44-2 | Cyclopentanecarboxylic acid, 1-(trifluoromethyl)-
CAS No: 277756-44-2 Catalog No: AG002UPX MDL No:MFCD08445821
Product Description
Catalog Number:
AG002UPX
Chemical Name:
Cyclopentanecarboxylic acid, 1-(trifluoromethyl)-
CAS Number:
277756-44-2
Molecular Formula:
C7H9F3O2
Molecular Weight:
182.1404
MDL Number:
MFCD08445821
IUPAC Name:
1-(trifluoromethyl)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C7H9F3O2/c8-7(9,10)6(5(11)12)3-1-2-4-6/h1-4H2,(H,11,12)
InChI Key:
DGQRYPPBAJNZFZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCC1)C(F)(F)F
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.142g/mol
Monoisotopic Mass:
182.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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