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88940-59-4

88940-59-4 | 5-Hexyn-1-ol, 6-(2-thienyl)-

CAS No: 88940-59-4 Catalog No: AG0047ZM MDL No:

Product Description

Catalog Number:
AG0047ZM
Chemical Name:
5-Hexyn-1-ol, 6-(2-thienyl)-
CAS Number:
88940-59-4
Molecular Formula:
C10H12OS
Molecular Weight:
180.2667
IUPAC Name:
6-thiophen-2-ylhex-5-yn-1-ol
InChI:
InChI=1S/C10H12OS/c11-8-4-2-1-3-6-10-7-5-9-12-10/h5,7,9,11H,1-2,4,8H2
InChI Key:
SCOGTOQCTLHQIN-UHFFFAOYSA-N
SMILES:
OCCCCC#Cc1cccs1

Properties

Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.061g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.265g/mol
Monoisotopic Mass:
180.061g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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