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131274-17-4 | 1H-Pyrrole-2,5-dione, 1-[2-(2-aminoethoxy)ethyl]-, 2,2,2-trifluoroacetate (1:1)
CAS No: 131274-17-4 Catalog No: AG000VUG MDL No:MFCD27987223
Product Description
Catalog Number:
AG000VUG
Chemical Name:
1H-Pyrrole-2,5-dione, 1-[2-(2-aminoethoxy)ethyl]-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
131274-17-4
Molecular Formula:
C10H13F3N2O5
Molecular Weight:
298.2158
MDL Number:
MFCD27987223
IUPAC Name:
1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C8H12N2O3.C2HF3O2/c9-3-5-13-6-4-10-7(11)1-2-8(10)12;3-2(4,5)1(6)7/h1-2H,3-6,9H2;(H,6,7)
InChI Key:
UJHVUJSQURGBAO-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NCCOCCN1C(=O)C=CC1=O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.218g/mol
Monoisotopic Mass:
298.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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