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151038-94-7 | 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-, hydrazide, 2,2,2-trifluoroacetate (1:1)
CAS No: 151038-94-7 Catalog No: AG001N0X MDL No:MFCD07357647
Product Description
Catalog Number:
AG001N0X
Chemical Name:
1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-, hydrazide, 2,2,2-trifluoroacetate (1:1)
CAS Number:
151038-94-7
Molecular Formula:
C12H16F3N3O5
Molecular Weight:
339.2677
MDL Number:
MFCD07357647
IUPAC Name:
6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C10H15N3O3.C2HF3O2/c11-12-8(14)4-2-1-3-7-13-9(15)5-6-10(13)16;3-2(4,5)1(6)7/h5-6H,1-4,7,11H2,(H,12,14);(H,6,7)
InChI Key:
DRURMGRBAVYWCL-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NNC(=O)CCCCCN1C(=O)C=CC1=O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.104g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
339.271g/mol
Monoisotopic Mass:
339.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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