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89384-34-9 | 4-Dodecyne-3,6-dione, 2-methyl-
CAS No: 89384-34-9 Catalog No: AG003WM8 MDL No:
Product Description
Catalog Number:
AG003WM8
Chemical Name:
4-Dodecyne-3,6-dione, 2-methyl-
CAS Number:
89384-34-9
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
2-methyldodec-4-yne-3,6-dione
InChI:
InChI=1S/C13H20O2/c1-4-5-6-7-8-12(14)9-10-13(15)11(2)3/h11H,4-8H2,1-3H3
InChI Key:
HELAUUKUFRVBCJ-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C#CC(=O)C(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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