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122404-66-4 | 4,5-Decanedione
CAS No: 122404-66-4 Catalog No: AG00177G MDL No:
Product Description
Catalog Number:
AG00177G
Chemical Name:
4,5-Decanedione
CAS Number:
122404-66-4
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
decane-4,5-dione
InChI:
InChI=1S/C10H18O2/c1-3-5-6-8-10(12)9(11)7-4-2/h3-8H2,1-2H3
InChI Key:
DQUOIAININWFBH-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)C(=O)CCC
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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