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1260889-66-4 | 3-Pyrrolidinecarboxylic acid, 4-methyl-1-(phenylmethyl)-3-(trifluoromethyl)-
CAS No: 1260889-66-4 Catalog No: AG000RIX MDL No:
Product Description
Catalog Number:
AG000RIX
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-methyl-1-(phenylmethyl)-3-(trifluoromethyl)-
CAS Number:
1260889-66-4
Molecular Formula:
C14H16F3NO2
Molecular Weight:
287.2775
IUPAC Name:
1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C14H16F3NO2/c1-10-7-18(8-11-5-3-2-4-6-11)9-13(10,12(19)20)14(15,16)17/h2-6,10H,7-9H2,1H3,(H,19,20)
InChI Key:
GPAPGABTUHVVMV-UHFFFAOYSA-N
SMILES:
CC1CN(CC1(C(=O)O)C(F)(F)F)Cc1ccccc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.113g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.282g/mol
Monoisotopic Mass:
287.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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