Home Other Building Blocks hept-6-yn-2-one

hept-6-yn-2-one

CAS No.:
928-39-2
Catalog Number:
AG01BV94
Molecular Formula:
C7H10O
Molecular Weight:
110.1537
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Product Description
Catalog Number:
AG01BV94
Chemical Name:
hept-6-yn-2-one
CAS Number:
928-39-2
Molecular Formula:
C7H10O
Molecular Weight:
110.1537
MDL Number:
MFCD18822459
IUPAC Name:
hept-6-yn-2-one
InChI:
InChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h1H,4-6H2,2H3
InChI Key:
HYDAEDXXFPPLQI-UHFFFAOYSA-N
SMILES:
C#CCCCC(=O)C
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.073g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.156g/mol
Monoisotopic Mass:
110.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties