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72959-49-0 | Propanedioic acid,2-[1-(acetyloxy)ethylidene]-, 1,3-diethyl ester
CAS No: 72959-49-0 Catalog No: AG005D18 MDL No:
Product Description
Catalog Number:
AG005D18
Chemical Name:
Propanedioic acid,2-[1-(acetyloxy)ethylidene]-, 1,3-diethyl ester
CAS Number:
72959-49-0
Molecular Formula:
C11H16O6
Molecular Weight:
244.2411
IUPAC Name:
diethyl 2-(1-acetyloxyethylidene)propanedioate
InChI:
InChI=1S/C11H16O6/c1-5-15-10(13)9(11(14)16-6-2)7(3)17-8(4)12/h5-6H2,1-4H3
InChI Key:
QZWHXHNSODOCEH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(OC(=O)C)C)C(=O)OCC
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.243g/mol
Monoisotopic Mass:
244.095g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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