5-Methyl-3,4-hexadien-1-ol - CAS 54795-27-6
Catalog: |
BB028821 |
Product Name: |
5-Methyl-3,4-hexadien-1-ol |
CAS: |
54795-27-6 |
Synonyms: |
5-methylhexa-3,4-dien-1-ol |
Description: | 5-Methyl-3,4-hexadien-1-ol (CAS# 54795-27-6 ) is a useful research chemical. |
Molecular Weight: | 112.17 |
Molecular Formula: | C7H12O |
Canonical SMILES: | CC(=C=CCCO)C |
InChI: | InChI=1S/C7H12O/c1-7(2)5-3-4-6-8/h3,8H,4,6H2,1-2H3 |
InChI Key: | JPVXYBRKKQSXLO-UHFFFAOYSA-N |
LogP: | 1.49010 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2001122867-A | Method for producing lactone derivative | 19991026 |
Complexity: | 104 |
Compound Is Canonicalized: | No |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.088815002 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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