1-Isopropyl citrate

Base Information

• Chemical Name: 1-Isopropyl citrate
• CAS No.: 101396-15-0
• Molecular Formula: C9H14O7
• European Community (EC) Number: 215-319-2
• UNII: 0GG8VH216P
• DSSTox Substance ID: DTXSID40862624
• Nikkaji Number: J67.630F
• Wikidata: Q27236756
• Metabolomics Workbench ID: 45526
• Mol file: 101396-15-0.mol

Synonyms:1-Isopropyl citrate;Citric Acid Isopropyl Ester;Monoisopropyl citrate;1321-57-9;101396-15-0;Citric acid, monoisopropyl ester;2-hydroxy-2-(2-oxo-2-propan-2-yloxyethyl)butanedioic acid;EINECS 215-319-2;UNII-GL3533UI0R;0GG8VH216P;(1-Methylethyl) dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate;2-Hydroxy-2-(2-isopropoxy-2-oxoethyl)succinic acid;Mono(1-methylethyl) 2-hydroxy-1,2,3-propanetricarboxylate;2-hydroxy-2-[2-oxo-2-(propan-2-yloxy)ethyl]butanedioic acid;UNII-0GG8VH216P;1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-(1-methylethyl) ester;1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mono(1-methylethyl) ester;C6H8O7.xC3H8O;SCHEMBL37069;GL3533UI0R;DTXSID40862624;CHEBI:168595;C6-H8-O7.x-C3-H8-O;MFCD00060079;AKOS025295285;AS-59130;FT-0760933;Q27236756;2-Hydroxy-2-(2-isopropoxy-2-oxoethyl)succinic acid, AldrichCPR;2-Hydroxy-2-{2-oxo-2-[(propan-2-yl)oxy]ethyl}butanedioic acid;2-Hydroxy-1,2,3-propanetricarboxylic acid dihydrogen 1-isopropyl ester

Chemical Property of 1-Isopropyl citrate

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 234.07395278
• Heavy Atom Count: 16
• Complexity: 296

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)CC(CC(=O)O)(C(=O)O)O

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