Home Other Building Blocks hept-5-yn-1-ol

hept-5-yn-1-ol

CAS No.:
58944-42-6
Catalog Number:
AG01A5QH
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
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Product Description
Catalog Number:
AG01A5QH
Chemical Name:
hept-5-yn-1-ol
CAS Number:
58944-42-6
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD19300688
IUPAC Name:
hept-5-yn-1-ol
InChI:
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h8H,4-7H2,1H3
InChI Key:
NVDRTKDQNXWZSY-UHFFFAOYSA-N
SMILES:
OCCCCC#CC
Properties
Complexity:
93.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties