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89319-69-7 | 1-Decyn-3-one, 1-cyclohexyl-
CAS No: 89319-69-7 Catalog No: AG00404H MDL No:
Product Description
Catalog Number:
AG00404H
Chemical Name:
1-Decyn-3-one, 1-cyclohexyl-
CAS Number:
89319-69-7
Molecular Formula:
C16H26O
Molecular Weight:
234.3770
IUPAC Name:
1-cyclohexyldec-1-yn-3-one
InChI:
InChI=1S/C16H26O/c1-2-3-4-5-9-12-16(17)14-13-15-10-7-6-8-11-15/h15H,2-12H2,1H3
InChI Key:
GFEGJZWEJQKZMB-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)C#CC1CCCCC1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.198g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.383g/mol
Monoisotopic Mass:
234.198g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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