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1817-49-8 | Benzenemethanol, α-(2-phenylethynyl)-
CAS No: 1817-49-8 Catalog No: AG00232G MDL No:
Product Description
Catalog Number:
AG00232G
Chemical Name:
Benzenemethanol, α-(2-phenylethynyl)-
CAS Number:
1817-49-8
Molecular Formula:
C15H12O
Molecular Weight:
208.2552
IUPAC Name:
1,3-diphenylprop-2-yn-1-ol
InChI:
InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15-16H
InChI Key:
DZZWMODRWHHWFR-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)C#Cc1ccccc1
NSC Number:
167103
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.26g/mol
Monoisotopic Mass:
208.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Electrophilic chemistry of propargylic alcohols in imidazolium ionic liquids: propargylation of arenes and synthesis of propargylic ethers catalyzed by metallic triflates [Bi(OTf)3, Sc(OTf)3, Yb(OTf)3], TfOH, or B(C6F5)3. | Organic & biomolecular chemistry 20110407 |
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