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870704-19-1 | Diethyl-3,4-ethylenedioxypyrrole-2,5-dicarboxylate
CAS No: 870704-19-1 Catalog No: AG004JD8 MDL No:
Product Description
Catalog Number:
AG004JD8
Chemical Name:
Diethyl-3,4-ethylenedioxypyrrole-2,5-dicarboxylate
CAS Number:
870704-19-1
Molecular Formula:
C12H15NO6
Molecular Weight:
269.2506
IUPAC Name:
diethyl 3,6-dihydro-2H-[1,4]dioxino[2,3-c]pyrrole-5,7-dicarboxylate
InChI:
InChI=1S/C12H15NO6/c1-3-16-11(14)7-9-10(19-6-5-18-9)8(13-7)12(15)17-4-2/h13H,3-6H2,1-2H3
InChI Key:
PRLDMMBRDYVWRG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(c2c1OCCO2)C(=O)OCC
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.253g/mol
Monoisotopic Mass:
269.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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