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101967-99-1 | 2H-Pyran-4,5-dicarboxylic acid, 2-oxo-, 4,5-diethyl ester
CAS No: 101967-99-1 Catalog No: AG00063Z MDL No:
Product Description
Catalog Number:
AG00063Z
Chemical Name:
2H-Pyran-4,5-dicarboxylic acid, 2-oxo-, 4,5-diethyl ester
CAS Number:
101967-99-1
Molecular Formula:
C11H12O6
Molecular Weight:
240.2094
IUPAC Name:
diethyl 6-oxopyran-3,4-dicarboxylate
InChI:
InChI=1S/C11H12O6/c1-3-15-10(13)7-5-9(12)17-6-8(7)11(14)16-4-2/h5-6H,3-4H2,1-2H3
InChI Key:
JNTBSWTYKPYYKR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(=O)occ1C(=O)OCC
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.211g/mol
Monoisotopic Mass:
240.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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