Home Other Building Blocks Hept-4-yn-2-ol

Hept-4-yn-2-ol

CAS No.:
19781-81-8
Catalog Number:
AG002B3L
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
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Product Description
Catalog Number:
AG002B3L
Chemical Name:
Hept-4-yn-2-ol
CAS Number:
19781-81-8
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD00041588
IUPAC Name:
hept-4-yn-2-ol
InChI:
InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h7-8H,3,6H2,1-2H3
InChI Key:
CXVIEBMEWKSONY-UHFFFAOYSA-N
SMILES:
CCC#CCC(O)C
EC Number:
243-309-8
Properties
Complexity:
104  
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:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties