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1163729-49-4 | Cyclobutanecarboxylic acid, 3-hydroxy-3-(trifluoromethyl)-
CAS No: 1163729-49-4 Catalog No: AG000CC3 MDL No:MFCD11870383
Product Description
Catalog Number:
AG000CC3
Chemical Name:
Cyclobutanecarboxylic acid, 3-hydroxy-3-(trifluoromethyl)-
CAS Number:
1163729-49-4
Molecular Formula:
C6H7F3O3
Molecular Weight:
184.1132
MDL Number:
MFCD11870383
IUPAC Name:
3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid
InChI:
InChI=1S/C6H7F3O3/c7-6(8,9)5(12)1-3(2-5)4(10)11/h3,12H,1-2H2,(H,10,11)
InChI Key:
PNVQKVUOLHLJTL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(C1)(O)C(F)(F)F
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.114g/mol
Monoisotopic Mass:
184.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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