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89754-16-5 | Propanedioic acid, [(2-furanyloxy)methylene]-, diethyl ester
CAS No: 89754-16-5 Catalog No: AG0040TY MDL No:
Product Description
Catalog Number:
AG0040TY
Chemical Name:
Propanedioic acid, [(2-furanyloxy)methylene]-, diethyl ester
CAS Number:
89754-16-5
Molecular Formula:
C12H14O6
Molecular Weight:
254.2360
IUPAC Name:
diethyl 2-(furan-2-yloxymethylidene)propanedioate
InChI:
InChI=1S/C12H14O6/c1-3-15-11(13)9(12(14)16-4-2)8-18-10-6-5-7-17-10/h5-8H,3-4H2,1-2H3
InChI Key:
HNXWOXWUMYUIKW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=COc1ccco1)C(=O)OCC
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.238g/mol
Monoisotopic Mass:
254.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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