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Home > Nitro Compounds > 77795-25-6
77795-25-6 | 2,4,6-TRINITROPHENYL 5-OXO-L-PROLINATE
CAS No: 77795-25-6 Catalog No: AG0057IZ MDL No:
Product Description
Catalog Number:
AG0057IZ
Chemical Name:
2,4,6-TRINITROPHENYL 5-OXO-L-PROLINATE
CAS Number:
77795-25-6
Molecular Formula:
C11H8N4O9
Molecular Weight:
340.2026
IUPAC Name:
(2,4,6-trinitrophenyl) (2S)-5-oxopyrrolidine-2-carboxylate
InChI:
InChI=1S/C11H8N4O9/c16-9-2-1-6(12-9)11(17)24-10-7(14(20)21)3-5(13(18)19)4-8(10)15(22)23/h3-4,6H,1-2H2,(H,12,16)/t6-/m0/s1
InChI Key:
OHQGNVGQELARTB-LURJTMIESA-N
SMILES:
O=C1CC[C@H](N1)C(=O)Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
EC Number:
278-769-9
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
340.029g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.204g/mol
Monoisotopic Mass:
340.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
193A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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