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

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Name

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

EINECS 273-992-8
CAS No. 69416-61-1 Density 1.345[at 20℃]
PSA 98.69000 LogP 0.24050
Solubility N/A Melting Point N/A
Formula C13H14KNO5 Boiling Point 476.6oC at 760 mmHg
Molecular Weight 303.356 Flash Point 242.1oC
Transport Information N/A Appearance white crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 69416-61-1 (D-(-)-A-4-HYDROXYPHENYLGLYCINE DANE SALT METHYL POTASSIUM) Hazard Symbols N/A
Synonyms

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

 

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

The CAS register number of Potassium (R)-(4-hydroxyphenyl)((3-methoxy-1-methyl-3-oxoprop-1-enyl)amino)acetate is 69416-61-1. It also can be called as Benzeneacetic acid,4-hydroxy-a-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-,potassium salt (1:1), (aR)- and the IUPAC name about this chemical is potassium 2-(4-hydroxyphenyl)-2-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate. The molecular formula about this chemical is C13H14KNO5 and the molecular weight is 303.35. It belongs to the Pharmaceutical Intermediates. This chemical can be obtained through salt and condensationthe by L-hydroxyphenylglycine, potassium hydroxide and methyl acetoacetate. In addition, this chemical can be used as intermediates of amoxicillin, hydroxyl Piperacillin, cefadroxil, ceftazidime oxygen yl benzyl piperazine hydroxyl and other semi-synthetic antibiotics.

Physical properties about Potassium (R)-(4-hydroxyphenyl)((3-methoxy-1-methyl-3-oxoprop-1-enyl)amino)acetate are: (1)#H bond acceptors: 6; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 98.69Å2; (5)H-Bond Donor: 2; (6)H-Bond Acceptor: 6; (7)Rotatable Bond Count: 6; (8)Tautomer Count: 6; (9)Exact Mass: 303.050904; (10)MonoIsotopic Mass: 303.050904; (11)Topological Polar Surface Area: 98.7; (12)Heavy Atom Count: 20; (13)Complexity: 364; (14)Undefined Atom StereoCenter Count: 1; (15)Defined Bond StereoCenter Count: 1; (16)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)SMILES: [K+].Oc1ccc(cc1)[C@H](NC(\C)=C\C(=O)OC)C([O-])=O
(2)InChI: InChI=1/C13H15NO5.K/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/q;+1/p-1/b8-7+;/t12-;/m0./s1
(3)InChIKey: HFDVONAPNRXRSV-STYBJNCCBT
(4)Std. InChI: InChI=1S/C13H15NO5.K/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/q;+1/p-1/b8-7+;/t12-;/m0./s1
(5)Std. InChIKey: HFDVONAPNRXRSV-WBYOOCJNSA-M

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