Home Carboxys 5-methyl-1,3-dioxo-2-(2,2,2-trifluoroethyl)-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylic acid

5-methyl-1,3-dioxo-2-(2,2,2-trifluoroethyl)-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylic acid

CAS No.:
1212341-67-7
Catalog Number:
AG019XLA
Molecular Formula:
C12H12F3NO4
Molecular Weight:
291.2232
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Product Description
Catalog Number:
AG019XLA
Chemical Name:
5-methyl-1,3-dioxo-2-(2,2,2-trifluoroethyl)-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylic acid
CAS Number:
1212341-67-7
Molecular Formula:
C12H12F3NO4
Molecular Weight:
291.2232
MDL Number:
MFCD13196209
IUPAC Name:
5-methyl-1,3-dioxo-2-(2,2,2-trifluoroethyl)-3a,4,5,7a-tetrahydroisoindole-4-carboxylic acid
InChI:
InChI=1S/C12H12F3NO4/c1-5-2-3-6-8(7(5)11(19)20)10(18)16(9(6)17)4-12(13,14)15/h2-3,5-8H,4H2,1H3,(H,19,20)
InChI Key:
WOCMPGNCIWTDFK-UHFFFAOYSA-N
SMILES:
OC(=O)C1C(C)C=CC2C1C(=O)N(C2=O)CC(F)(F)F
Properties
Complexity:
499  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.072g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.226g/mol
Monoisotopic Mass:
291.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties