| CAS Number | 5636-65-7 |
| Catalog Number | AG00ED60(AGN-PC-0NIWWV) |
| Chemical Name | 5-Methyl-4-hexenoic acid |
| IUPAC Name | 5-methylhex-4-enoic acid |
| InChI | InChI=1S/C7H12O2/c1-6(2)4-3-5-7(8)9/h4H,3,5H2,1-2H3,(H,8,9) |
| InChI Key | YJJLHGCCADOOPZ-UHFFFAOYSA-N |
| MDL Number | MFCD03425847 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.1690 |
| SMILES | OC(=O)CCC=C(C)C |
| UNII | 1V08PR1DQO |
| Synonyms | 5-Methylhex-4-enoic acid,
5636-65-7,
5-METHYL-4-HEXENOIC ACID,
4-Hexenoic acid, 5-methyl-,
UNII-1V08PR1DQO,
1V08PR1DQO,
prenylacetic acid,
SCHEMBL586253,
CTK1H0966,
YJJLHGCCADOOPZ-UHFFFAOYSA-N,
ZINC43794379,
AKOS006278912,
AJ-108766,
F8885-2839,
5-METHYL-4-HEXENOICACID,
C7-H12-O2,
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| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.171g/mol |
| Monoisotopic Mass | 128.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number