2-Butenedioic acid (2Z)-, monocyclohexyl ester

Base Information

• Chemical Name: 2-Butenedioic acid (2Z)-, monocyclohexyl ester
• CAS No.: 46341-50-8
• Molecular Formula: C10H14 O4
• Molecular Weight: 198.21576
• European Community (EC) Number: 219-359-1,256-263-9
• UNII: TZF55WJ4KK
• DSSTox Substance ID: DTXSID2062404,DTXSID501343088
• Nikkaji Number: J2.383.771D
• ChEMBL ID: CHEMBL1771643
• Mol file: 46341-50-8.mol

Synonyms:monocyclohexyl fumarate;2-Butenedioic acid (2Z)-, monocyclohexyl ester;TZF55WJ4KK;Cyclohexyl hydrogen maleate;Cyclohexyl hydrogen-2-butenedioate;Cyclohexyl hydrogen -2-butenedioate;EINECS 219-359-1;EINECS 256-263-9;2424-59-1;2-Butenedioic acid (2E)-, 1-cyclohexyl ester;2-Butenedioic acid (2E)-, monocyclohexyl ester;85602-94-4;46341-50-8;2-Butenedioic acid (2Z)-, 1-cyclohexyl ester;QW25FF76LL;Cyclohexyl Fumarate;2-Butenedioic acid (Z)-, monocyclohexyl ester;UNII-TZF55WJ4KK;UNII-QW25FF76LL;SCHEMBL528630;SCHEMBL528698;Fumaric acid 1-cyclohexyl ester;CHEMBL1771643;DTXSID2062404;DTXSID501343088;AKOS000621531

Chemical Property of 2-Butenedioic acid (2Z)-, monocyclohexyl ester

Chemical Property:

• Vapor Pressure: 2.15E-05mmHg at 25°C
• Boiling Point: 336.1°Cat760mmHg
• Flash Point: 131.1°C
• PSA: 63.60000
• Density: 1.18g/cm³
• LogP: 1.50310
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 198.08920892
• Heavy Atom Count: 14
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)OC(=O)C=CC(=O)O
• Isomeric SMILES: C1CCC(CC1)OC(=O)/C=C/C(=O)O

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