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13159-16-5 | 4-Penten-1-ol, 5-phenyl-, (4E)-
CAS No: 13159-16-5 Catalog No: AG000ZH0 MDL No:MFCD00217061
Product Description
Catalog Number:
AG000ZH0
Chemical Name:
4-Penten-1-ol, 5-phenyl-, (4E)-
CAS Number:
13159-16-5
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD00217061
IUPAC Name:
(E)-5-phenylpent-4-en-1-ol
InChI:
InChI=1S/C11H14O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-5,7-9,12H,2,6,10H2/b9-5+
InChI Key:
QBQBSEZWJAWWCT-WEVVVXLNSA-N
SMILES:
OCCC/C=C/c1ccccc1
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Inhibition of prostaglandin H2 synthases by salicylate is dependent on the oxidative state of the enzymes. | The Journal of pharmacology and experimental therapeutics 20030201 |
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