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30614-77-8 | 3,4-Furandicarboxylic acid, 3,4-diethyl ester
CAS No: 30614-77-8 Catalog No: AG0030O0 MDL No:MFCD00005349
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 |
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