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28906-63-0 | Phenol, (2-phenylethyl)-
CAS No: 28906-63-0 Catalog No: AG002X1R MDL No:
Product Description
Catalog Number:
AG002X1R
Chemical Name:
Phenol, (2-phenylethyl)-
CAS Number:
28906-63-0
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
IUPAC Name:
2-(2-phenylethyl)phenol
InChI:
InChI=1S/C14H14O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChI Key:
DMAXMXPDVWTIRV-UHFFFAOYSA-N
SMILES:
Oc1ccccc1CCc1ccccc1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Direct detection of products from the pyrolysis of 2-phenethyl phenyl ether. | The journal of physical chemistry. A 20110203 |
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