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1504-58-1 | 2-Propyn-1-ol, 3-phenyl-
CAS No: 1504-58-1 Catalog No: AG001MKS MDL No:MFCD00040914
Product Description
Catalog Number:
AG001MKS
Chemical Name:
2-Propyn-1-ol, 3-phenyl-
CAS Number:
1504-58-1
Molecular Formula:
C9H8O
Molecular Weight:
132.1592
MDL Number:
MFCD00040914
IUPAC Name:
3-phenylprop-2-yn-1-ol
InChI:
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8H2
InChI Key:
NITUNGCLDSFVDL-UHFFFAOYSA-N
SMILES:
OCC#Cc1ccccc1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.162g/mol
Monoisotopic Mass:
132.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Interaction of alcohols with 2-fluoro- and 4-fluorophenylacetylenes: infrared-optical double resonance spectroscopic and computational investigation. | The journal of physical chemistry. A 20111020 |
| 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 |
| Synthesis of a NO-releasing prodrug of rofecoxib. | The Journal of organic chemistry 20060120 |
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