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79681-48-4 | 9-Undecyn-5-one
CAS No: 79681-48-4 Catalog No: AG0050X7 MDL No:
Product Description
Catalog Number:
AG0050X7
Chemical Name:
9-Undecyn-5-one
CAS Number:
79681-48-4
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
undec-9-yn-5-one
InChI:
InChI=1S/C11H18O/c1-3-5-7-8-10-11(12)9-6-4-2/h4,6-10H2,1-2H3
InChI Key:
DHZROFAHVHPYQJ-UHFFFAOYSA-N
SMILES:
CCCCC(=O)CCCC#CC
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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