Home Other Building Blocks 1-Pentyn-3-ol

1-Pentyn-3-ol

CAS No.:
4187-86-4
Catalog Number:
AG003ELE
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
In Stock USA
United States
$353
- +
Product Description
Catalog Number:
AG003ELE
Chemical Name:
1-Pentyn-3-ol
CAS Number:
4187-86-4
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
MDL Number:
MFCD00004572
IUPAC Name:
pent-1-yn-3-ol
InChI:
InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3
InChI Key:
LBSKEFWQPNVWTP-UHFFFAOYSA-N
SMILES:
CCC(C#C)O
EC Number:
224-063-0
NSC Number:
60556
Properties
Complexity:
67.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Toxicity of propargylic alcohols on green alga--Pseudokirchneriella subcapitata. Journal of environmental monitoring : JEM 20120101
Properties