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1260654-49-6 | 3-Pyrrolidinecarboxylic acid, 4-methyl-4-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1260654-49-6 Catalog No: AG000QY3 MDL No:
Product Description
Catalog Number:
AG000QY3
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-methyl-4-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1260654-49-6
Molecular Formula:
C7H11ClF3NO2
Molecular Weight:
233.6159
IUPAC Name:
4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H10F3NO2.ClH/c1-6(7(8,9)10)3-11-2-4(6)5(12)13;/h4,11H,2-3H2,1H3,(H,12,13);1H
InChI Key:
DKCBOWCAJXKSKV-UHFFFAOYSA-N
SMILES:
OC(=O)C1CNCC1(C)C(F)(F)F.Cl
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.615g/mol
Monoisotopic Mass:
233.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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