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88167-82-2 | 2,5-Furandicarboxylic acid, 3,4-diphenyl-, dimethyl ester
CAS No: 88167-82-2 Catalog No: AG004DB0 MDL No:
Product Description
Catalog Number:
AG004DB0
Chemical Name:
2,5-Furandicarboxylic acid, 3,4-diphenyl-, dimethyl ester
CAS Number:
88167-82-2
Molecular Formula:
C20H16O5
Molecular Weight:
336.3380
IUPAC Name:
dimethyl 3,4-diphenylfuran-2,5-dicarboxylate
InChI:
InChI=1S/C20H16O5/c1-23-19(21)17-15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)18(25-17)20(22)24-2/h3-12H,1-2H3
InChI Key:
OXGRGIOFTGVTAL-UHFFFAOYSA-N
SMILES:
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.1g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.343g/mol
Monoisotopic Mass:
336.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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