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73843-15-9 | 2,6-Heptanedione, 3-acetyl-3-methyl-
CAS No: 73843-15-9 Catalog No: AG005KB9 MDL No:
Product Description
Catalog Number:
AG005KB9
Chemical Name:
2,6-Heptanedione, 3-acetyl-3-methyl-
CAS Number:
73843-15-9
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
3-acetyl-3-methylheptane-2,6-dione
InChI:
InChI=1S/C10H16O3/c1-7(11)5-6-10(4,8(2)12)9(3)13/h5-6H2,1-4H3
InChI Key:
YWUPUQUVRIHHRZ-UHFFFAOYSA-N
SMILES:
CC(=O)CCC(C(=O)C)(C(=O)C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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