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162253-71-6 | Pentanedioic acid, 2,4-dioxo-, 1,5-dimethyl ester
CAS No: 162253-71-6 Catalog No: AG001SXV MDL No:
Product Description
Catalog Number:
AG001SXV
Chemical Name:
Pentanedioic acid, 2,4-dioxo-, 1,5-dimethyl ester
CAS Number:
162253-71-6
Molecular Formula:
C7H8O6
Molecular Weight:
188.1348
IUPAC Name:
dimethyl 2,4-dioxopentanedioate
InChI:
InChI=1S/C7H8O6/c1-12-6(10)4(8)3-5(9)7(11)13-2/h3H2,1-2H3
InChI Key:
BVXUPHLMVXBGGY-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)CC(=O)C(=O)OC
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.032g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.135g/mol
Monoisotopic Mass:
188.032g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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