4-sec-Amylphenol - CAS 25735-67-5
Catalog:
BB054145
Product Name:
4-sec-Amylphenol
CAS:
25735-67-5
Synonyms:
Phenol, 4-sec-pentyl-; 4-sec-Pentylphenol; Phenol, p-sec-amyl-; Phenol, p-sec-pentyl-; p-s-amylphenol; p-sec-Amylphenol
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BB054145
100 mg
$798
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IUPAC Name: 4-pentan-2-ylphenol
Molecular Weight: 164.25
Molecular Formula: C11H16O
Canonical SMILES: CCCC(C)C1=CC=C(C=C1)O
InChI: InChI=1S/C11H16O/c1-3-4-9(2)10-5-7-11(12)8-6-10/h5-9,12H,3-4H2,1-2H3
InChI Key: JTHGIRIGZAGNOX-UHFFFAOYSA-N
Melting Point: 106-108°C
Purity: ≥95%
Density: 0.9691 g/cm3
Complexity: 114
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 164.12011513
Formal Charge: 0
Heavy Atom Count: 12
Hydrogen Bond Acceptor Count: 1
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 164.12011513
Rotatable Bond Count: 3
Topological Polar Surface Area: 20.2
Undefined Atom Stereocenter Count: 1
Undefined Bond Stereocenter Count: 0
XLogP3: 3.6
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