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84022-51-5 | 2-Octyn-1-one, 4-methoxy-4-methyl-1-phenyl-
CAS No: 84022-51-5 Catalog No: AG0051R8 MDL No:
Product Description
Catalog Number:
AG0051R8
Chemical Name:
2-Octyn-1-one, 4-methoxy-4-methyl-1-phenyl-
CAS Number:
84022-51-5
Molecular Formula:
C16H20O2
Molecular Weight:
244.3288
IUPAC Name:
4-methoxy-4-methyl-1-phenyloct-2-yn-1-one
InChI:
InChI=1S/C16H20O2/c1-4-5-12-16(2,18-3)13-11-15(17)14-9-7-6-8-10-14/h6-10H,4-5,12H2,1-3H3
InChI Key:
JEFOZHOJCTTWEQ-UHFFFAOYSA-N
SMILES:
CCCCC(C#CC(=O)c1ccccc1)(OC)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.146g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.334g/mol
Monoisotopic Mass:
244.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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