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14597-14-9 | 3,4-Furandicarboxylic acid, 2,5-dimethyl-, 3,4-dimethyl ester
CAS No: 14597-14-9 Catalog No: AG001DKZ MDL No:
Product Description
Catalog Number:
AG001DKZ
Chemical Name:
3,4-Furandicarboxylic acid, 2,5-dimethyl-, 3,4-dimethyl ester
CAS Number:
14597-14-9
Molecular Formula:
C10H12O5
Molecular Weight:
212.1993
IUPAC Name:
dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
InChI:
InChI=1S/C10H12O5/c1-5-7(9(11)13-3)8(6(2)15-5)10(12)14-4/h1-4H3
InChI Key:
RUAVVKQPXWELCR-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)oc(c1C(=O)OC)C
Properties
Complexity:
237
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:
4
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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