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Home Other Building Blocks 4-Pentylphenylacetylene

4-Pentylphenylacetylene

CAS No.:
79887-10-8
Catalog Number:
AG0032RD
Molecular Formula:
C13H16
Molecular Weight:
172.2661
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG0032RD
Chemical Name:
4-Pentylphenylacetylene
CAS Number:
79887-10-8
Molecular Formula:
C13H16
Molecular Weight:
172.2661
MDL Number:
MFCD00173884
IUPAC Name:
1-ethynyl-4-pentylbenzene
InChI:
InChI=1S/C13H16/c1-3-5-6-7-13-10-8-12(4-2)9-11-13/h2,8-11H,3,5-7H2,1H3
InChI Key:
APGNXGIUUTWIRE-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C#C
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.125g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.271g/mol
Monoisotopic Mass:
172.125g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Polybenzimidazole-supported [Rh(cod)Cl]2 complex: effective catalyst for the polymerization of substituted acetylenes. Chemistry (Weinheim an der Bergstrasse, Germany) 20020118
Properties