ethyl (2Z)-2-(hydroxyimino)butanoate 5339-83-3 CAS NO.5339-83-3

Min.Order: 1 Gram
Payment Terms: L/C,T/T,

Product Details

Keywords

ethyl (2E)-2-hydroxyiminobutanoate
ethyl (2Z)-2-(hydroxyimino)butanoate
5339-83-3

Quick Details

ProName: ethyl (2Z)-2-(hydroxyimino)butanoate 5...
CasNo: 5339-83-3
Molecular Formula: C6H11NO3
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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4.Customs Synthesis

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Details

Identification and Related Records
【Name】
ethyl (2Z)-2-(hydroxyimino)butanoate
【Iupac name】
ethyl (2Z)-2-hydroxyiminobutanoate
【CAS Registry number】
5339-83-3
【Synonyms】
NSC3569
AC1O4S0F
5339-83-3
ethyl (2Z)-2-hydroxyiminobutanoate
NSC-3569
2-OXOBUTYRIC ACID, ETHYL ESTER OXIME
【Molecular Formula】
C6H11NO3 (Products with the same molecular formula)
【Molecular Weight】
145.1564
【Inchi】
InChI=1/C6H11NO3/c1-3-5(7-9)6(8)10-4-2/h9H,3-4H2,1-2H3/b7-5-
【Canonical SMILES】
CCC(=NO)C(=O)OCC
【Isomers smiles】
CC/C(=N/O)/C(=O)OCC
【MOL File】
5339-83-3.mol
Chemical and Physical Properties
【Density】
1.09g/cm3
【Boiling Point】
227.5°C at 760 mmHg
【Refractive Index】
1.453
【Flash Point】
91.4°C
【Computed Properties】
Molecular Weight:145.15644 [g/mol]
Molecular Formula:C6H11NO3
XLogP3-AA:1.6
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:4
Tautomer Count:4
Exact Mass:145.073893
MonoIsotopic Mass:145.073893
Topological Polar Surface Area:58.9
Heavy Atom Count:10
Formal Charge:0
Complexity:142
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:39

Henan Tianfu Chemical Co., Ltd.