3-Pyrrolidinecarboxylicacid, 4,5-dioxo-1-(phenylmethyl)-, ethyl ester 5336-50-5 CAS NO.5336-50-5

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Product Details

Keywords

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

Quick Details

ProName: 3-Pyrrolidinecarboxylicacid, 4,5-dioxo...
CasNo: 5336-50-5
Molecular Formula: C14H15 N O4
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: As client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Kilogram
Heavy metal: N/A
Grade: Industrial Grade

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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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