2,2-Pyrrolidinedica...

2,2-Pyrrolidinedicarboxylicacid, 5-hydroxy-1-(2-nitrobenzoyl)-, 2,2-diethyl ester 54313-59-6

2,2-Pyrrolidinedicarboxylicacid, 5-hydroxy-1-(2-nitrobenzoyl)-, 2,2-diethyl ester 54313-59-6

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

2,2-Pyrrolidinedicarboxylicacid, 5-hydroxy-1-(2-nitrobenzoyl)-, 2,2-diethyl ester 54313-59-6 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
2,2-Pyrrolidinedicarboxylicacid, 5-hydroxy-1-(2-nitrobenzoyl)-, 2,2-diethyl ester
【Iupac name】
diethyl 5-hydroxy-1-(2-nitrobenzoyl)pyrrolidine-2,2-dicarboxylate
【CAS Registry number】
54313-59-6
【Synonyms】
2,2-Pyrrolidinedicarboxylicacid, 5-hydroxy-1-(2-nitrobenzoyl)-, diethyl ester (9CI)
NSC 243887
【Molecular Formula】
C17H20 N2 O8 (Products with the same molecular formula)
【Molecular Weight】
380.3493
【Inchi】
InChI=1/C17H20N2O8/c1-3-26-15(22)17(16(23)27-4-2)10-9-13(20)18(17)14(21)11-7-5-6-8-12(11)19(24)25/h5-8,13,20H,3-4,9-10H2,1-2H3
【Canonical SMILES】
CCOC(=O)C1(CCC(N1C(=O)C2=CC=CC=C2[N+](=O)[O-])O)C(=O)OCC
Chemical and Physical Properties
【Density】
1.396g/cm3
【Boiling Point】
534.9°C at 760 mmHg
【Refractive Index】
1.581
【Flash Point】
277.3°C
【Computed Properties】
Molecular Weight:380.3493 [g/mol]
Molecular Formula:C17H20N2O8
XLogP3-AA:2.3
H-Bond Donor:1
H-Bond Acceptor:8
Rotatable Bond Count:7
Exact Mass:380.121966
MonoIsotopic Mass:380.121966
Topological Polar Surface Area:139
Heavy Atom Count:27
Formal Charge:0
Complexity:584
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:10
Conformer Sampling RMSD:1
CID Conformer Count:24

 

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