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141340-69-4 | Decanedioic acid, 5,6-dioxo-, 1,10-dimethyl ester
CAS No: 141340-69-4 Catalog No: AG001G8Z MDL No:
Product Description
Catalog Number:
AG001G8Z
Chemical Name:
Decanedioic acid, 5,6-dioxo-, 1,10-dimethyl ester
CAS Number:
141340-69-4
Molecular Formula:
C12H18O6
Molecular Weight:
258.2677
IUPAC Name:
dimethyl 5,6-dioxodecanedioate
InChI:
InChI=1S/C12H18O6/c1-17-11(15)7-3-5-9(13)10(14)6-4-8-12(16)18-2/h3-8H2,1-2H3
InChI Key:
NTISUCRWRQHCJW-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(=O)C(=O)CCCC(=O)OC
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.27g/mol
Monoisotopic Mass:
258.11g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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