2-Hexenoic acid, 2-methyl-

Base Information

• Chemical Name: 2-Hexenoic acid, 2-methyl-
• CAS No.: 97961-66-5
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• European Community (EC) Number: 249-294-4
• UNII: EZM6AC2ZNF
• DSSTox Substance ID: DTXSID0067422
• Nikkaji Number: J286.475D,J764.838C
• Wikidata: Q76286021
• Metabolomics Workbench ID: 171
• Mol file: 97961-66-5.mol

Synonyms:2-Methyl-2-hexenoic acid;2-Hexenoic acid, 2-methyl-;2-Methylhex-2-enoic acid;28897-58-7;(E)-2-methylhex-2-enoic acid;(E)-2-methyl-2-hexenoic acid;2-methyl-2E-hexenoic acid;97961-66-5;2-Hexenoic acid, 2-methyl-, (2E)-;EINECS 249-294-4;(2E)-2-Methylhex-2-Enoic Acid;EZM6AC2ZNF;2-Methylhex-2-enoicacid;SCHEMBL23310;SCHEMBL23311;DTXSID0067422;trans-2-methyl-hex-2-enoic acid;(2E)-2-Methyl-2-hexenoic acid;CHEBI:179470;(2E)-2-Methyl-2-hexenoic acid #;LMFA01020101;MFCD00015855;2-Hexenoic acid, 2-methyl-, (E)-;AKOS022633313;2-Methyl-2-hexenoic acid, AldrichCPR;BS-53362;CS-0188277;M1147

Chemical Property of 2-Hexenoic acid, 2-methyl-

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 125

Purity/Quality:

95%-98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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