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89754-17-6 | Propanedioic acid, [3-(2-furanyloxy)-2-propenylidene]-, diethyl ester
CAS No: 89754-17-6 Catalog No: AG0040TX MDL No:
Product Description
Catalog Number:
AG0040TX
Chemical Name:
Propanedioic acid, [3-(2-furanyloxy)-2-propenylidene]-, diethyl ester
CAS Number:
89754-17-6
Molecular Formula:
C14H16O6
Molecular Weight:
280.2732
IUPAC Name:
diethyl 2-[3-(furan-2-yloxy)prop-2-enylidene]propanedioate
InChI:
InChI=1S/C14H16O6/c1-3-17-13(15)11(14(16)18-4-2)7-5-9-19-12-8-6-10-20-12/h5-10H,3-4H2,1-2H3
InChI Key:
YDJHVUKSFSCAKR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CC=COc1ccco1)C(=O)OCC
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.276g/mol
Monoisotopic Mass:
280.095g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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