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921926-44-5 | Propanedioic acid, 2-[3-oxo-1-(2-oxoethyl)propyl]-, 1,3-diethyl ester
CAS No: 921926-44-5 Catalog No: AG006GJR MDL No:
Product Description
Catalog Number:
AG006GJR
Chemical Name:
Propanedioic acid, 2-[3-oxo-1-(2-oxoethyl)propyl]-, 1,3-diethyl ester
CAS Number:
921926-44-5
Molecular Formula:
C12H18O6
Molecular Weight:
258.2677
IUPAC Name:
diethyl 2-(1,5-dioxopentan-3-yl)propanedioate
InChI:
InChI=1S/C12H18O6/c1-3-17-11(15)10(12(16)18-4-2)9(5-7-13)6-8-14/h7-10H,3-6H2,1-2H3
InChI Key:
SWTSZHJDXRLRJS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)C(CC=O)CC=O
Properties
Complexity:
271
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
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