Home Other Building Blocks hept-6-yn-3-ol

hept-6-yn-3-ol

CAS No.:
284673-59-2
Catalog Number:
AG01A0CB
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
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Product Description
Catalog Number:
AG01A0CB
Chemical Name:
hept-6-yn-3-ol
CAS Number:
284673-59-2
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD16091692
IUPAC Name:
hept-6-yn-3-ol
InChI:
InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h1,7-8H,4-6H2,2H3
InChI Key:
OOKKLYNRILHHCI-UHFFFAOYSA-N
SMILES:
CCC(CCC#C)O
Properties
Complexity:
87.8  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties