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Home Carboxys 3,4-Furandicarboxylic acid, 3,4-diethyl ester

3,4-Furandicarboxylic acid, 3,4-diethyl ester

CAS No.:
30614-77-8
Catalog Number:
AG0030O0
Molecular Formula:
C10H12O5
Molecular Weight:
212.1993
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Product Description
Catalog Number:
AG0030O0
Chemical Name:
3,4-Furandicarboxylic acid, 3,4-diethyl ester
CAS Number:
30614-77-8
Molecular Formula:
C10H12O5
Molecular Weight:
212.1993
MDL Number:
MFCD00005349
IUPAC Name:
diethyl furan-3,4-dicarboxylate
InChI:
InChI=1S/C10H12O5/c1-3-14-9(11)7-5-13-6-8(7)10(12)15-4-2/h5-6H,3-4H2,1-2H3
InChI Key:
ZODFWNHYQARJLC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cocc1C(=O)OCC
EC Number:
250-262-7
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.068g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.201g/mol
Monoisotopic Mass:
212.068g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Diethyl 2,5-diphenyl-furan-3,4-dicarboxyl-ate. Acta crystallographica. Section E, Structure reports online 20101201
Properties