(2E)-2,4-Dimethylpent-2-enoic acid

Base Information

• Chemical Name: (2E)-2,4-Dimethylpent-2-enoic acid
• CAS No.: 3876-52-6
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• UNII: KI18C46DHR
• DSSTox Substance ID: DTXSID60192036
• Nikkaji Number: J1.331.269I,J761.177C
• Wikidata: Q27282257
• Metabolomics Workbench ID: 48687
• Mol file: 3876-52-6.mol

Synonyms:(2E)-2,4-dimethyl-2-pentenoic acid;(E)-2,4-Dimethyl-2-pentenoic acid;(E)-2,4-dimethylpent-2-enoic acid;2,4-Dimethyl-2-pentenoic acid, (2E)-;FEMA No. 3143, 2E-;KI18C46DHR;UNII-KI18C46DHR;3876-52-6;(2E)-2,4-DIMETHYLPENT-2-ENOIC ACID;(E)-2,4-Dimethyl-2-pentenoyl chloride;UNII-YSD821326P;2-Pentenoic acid, 2,4-dimethyl-, (E)-;2-Pentenoic acid, 2,4-dimethyl-, (2E)-;SCHEMBL21714;SCHEMBL21716;2,4-Dimethyl-2-pentenoic acid, predominantly trans;FEMA 3143;DTXSID60192036;YSD821326P;(E)-2,4-dimethylpent-2-enoicacid;LMFA01030964;MFCD00209505;AKOS006222120;2,4-Dimethyl-2-pentenoic acid, AldrichCPR;CS-0161528;A918274;Q27282257

Chemical Property of (2E)-2,4-Dimethylpent-2-enoic acid

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 134

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C=C(C)C(=O)O
• Isomeric SMILES: CC(C)/C=C(\C)/C(=O)O