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Potassium (R)-((3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino)(4-hydroxyphenyl)acetate

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Name

Potassium (R)-((3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino)(4-hydroxyphenyl)acetate

EINECS 261-027-3
CAS No. 57938-86-0 Density
Solubility Melting Point
Formula C14H16KNO5 Boiling Point 484.3oC at 760mmHg
Molecular Weight 317.38 Flash Point 246.7oC
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 57938-86-0 (Benzeneacetic acid, a-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-4-hydroxy-,potassium salt (1:1), (aR)-) Hazard Symbols
Synonyms

Benzeneaceticacid, a-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-4-hydroxy-,monopotassium salt, (R)-;Benzeneacetic acid, a-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-4-hydroxy-,monopotassium salt, (aR)- (9CI);

 

Potassium (R)-((3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino)(4-hydroxyphenyl)acetate Specification

The Potassium (R)-((3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino)(4-hydroxyphenyl)acetate, with CAS registry number 57938-86-0, has the systematic name of potassium (2R)-2-[(3-ethoxy-1-methyl-3-oxo-prop-1-enyl)amino]-2-(4-hydroxyphenyl)acetate. And the chemical formula of this chemical is C14H16KNO5.  What's more, its EINECS is 261-027-3.

Physical properties about this chemical are: (1)#H bond acceptors: 6; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 8; (4)Polar Surface Area: 98.69 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [K+].Oc1ccc(cc1)[C@@H](NC(C)=CC(=O)OCC)C([O-])=O
(2)InChI: InChI=1/C14H17NO5.K/c1-3-20-12(17)8-9(2)15-13(14(18)19)10-4-6-11(16)7-5-10;/h4-8,13,15-16H,3H2,1-2H3,(H,18,19);/q;+1/p-1/t13-;/m1./s1
(3)InChIKey: KCIVNTJLAYJMEK-JVEMTQQMBZ
(4)Std. InChI: InChI=1S/C14H17NO5.K/c1-3-20-12(17)8-9(2)15-13(14(18)19)10-4-6-11(16)7-5-10;/h4-8,13,15-16H,3H2,1-2H3,(H,18,19);/q;+1/p-1/t13-;/m1./s1
(5)Std. InChIKey: KCIVNTJLAYJMEK-BTQNPOSSSA-M

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