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82724-82-1 | 4-Dodecyn-3-one, 6-methoxy-2,2,6-trimethyl-
CAS No: 82724-82-1 Catalog No: AG0050T2 MDL No:
Product Description
Catalog Number:
AG0050T2
Chemical Name:
4-Dodecyn-3-one, 6-methoxy-2,2,6-trimethyl-
CAS Number:
82724-82-1
Molecular Formula:
C16H28O2
Molecular Weight:
252.3923
IUPAC Name:
6-methoxy-2,2,6-trimethyldodec-4-yn-3-one
InChI:
InChI=1S/C16H28O2/c1-7-8-9-10-12-16(5,18-6)13-11-14(17)15(2,3)4/h7-10,12H2,1-6H3
InChI Key:
IQRRSSOEZHFUCP-UHFFFAOYSA-N
SMILES:
CCCCCCC(C#CC(=O)C(C)(C)C)(OC)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.209g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.398g/mol
Monoisotopic Mass:
252.209g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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