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137649-04-8 | 5-Decyn-4-one, 10-hydroxy-
CAS No: 137649-04-8 Catalog No: AG0013OK MDL No:
Product Description
Catalog Number:
AG0013OK
Chemical Name:
5-Decyn-4-one, 10-hydroxy-
CAS Number:
137649-04-8
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
10-hydroxydec-5-yn-4-one
InChI:
InChI=1S/C10H16O2/c1-2-7-10(12)8-5-3-4-6-9-11/h11H,2-4,6-7,9H2,1H3
InChI Key:
CXQZXSNVPXMWFS-UHFFFAOYSA-N
SMILES:
CCCC(=O)C#CCCCCO
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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