3-Pyrrolidinecarbox...

3-Pyrrolidinecarboxylicacid, 4,5-dioxo-1-(phenylmethyl)-, ethyl ester 5336-50-5

3-Pyrrolidinecarboxylicacid, 4,5-dioxo-1-(phenylmethyl)-, ethyl ester 5336-50-5

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

3-Pyrrolidinecarboxylicacid, 4,5-dioxo-1-(phenylmethyl)-, ethyl ester 3-Pyrrolidinecarboxylicacid, 4,5-dioxo-1-(phenylmethyl)-, ethyl ester 5336-50-5

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:

Identification and Related Records
【Name】
3-Pyrrolidinecarboxylicacid, 4,5-dioxo-1-(phenylmethyl)-, ethyl ester
【CAS Registry number】
5336-50-5
【Synonyms】
3-Pyrrolidinecarboxylicacid, 1-benzyl-4,5-dioxo-, ethyl ester (6CI)
NSC 334
【Molecular Formula】
C14H15 N O4 (Products with the same molecular formula)
【Molecular Weight】
261.2732
【Inchi】
InChI=1/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
【Canonical SMILES】
CCOC(=O)C1CN(C(=O)C1=O)CC2=CC=CC=C2
【MOL File】
5336-50-5.mol
Chemical and Physical Properties
【Density】
1.273g/cm3
【Boiling Point】
394.5°Cat760mmHg
【Refractive Index】
1.566
【Flash Point】
192.4°C
【Computed Properties】
Molecular Weight:261.2732 [g/mol]
Molecular Formula:C14H15NO4
XLogP3-AA:1.3
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:5
Tautomer Count:3
Exact Mass:261.100108
MonoIsotopic Mass:261.100108
Topological Polar Surface Area:63.7
Heavy Atom Count:19
Formal Charge:0
Complexity:374
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:3
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:5.6
Conformer Sampling RMSD:0.8
CID Conformer Count:51

 

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