| CAS Number | 4798-45-2 |
| Catalog Number | AG00DB0M(AGN-PC-0JKFKU) |
| Chemical Name | 4-methylpent-1-en-3-ol |
| IUPAC Name | 4-methylpent-1-en-3-ol |
| InChI | InChI=1S/C6H12O/c1-4-6(7)5(2)3/h4-7H,1H2,2-3H3 |
| InChI Key | SZKVYEHTIWILMA-UHFFFAOYSA-N |
| MDL Number | MFCD00039848 |
| Molecular Formula | C6H12O |
| Molecular Weight | 100.1589 |
| NSC Number | 95412 |
| SMILES | CC(C(C=C)O)C |
| Synonyms | 4-METHYL-1-PENTEN-3-OL,
4798-45-2,
1-Penten-3-ol, 4-methyl-,
4-methylpent-1-en-3-ol,
SZKVYEHTIWILMA-UHFFFAOYSA-N,
NSC95412,
AC1L2H9U,
4-Methyl-1-penten-3-ol #,
SCHEMBL2608974,
CTK4J0536,
MFCD00039848,
NSC-95412,
AKOS006271480,
MCULE-2504249276,
DB-051490,
FT-0635446,
A1-01310,
132486-37-4,
CID20929,
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| Complexity | 57.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 100.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 100.161g/mol |
| Monoisotopic Mass | 100.089g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number