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19799-49-6 | 3,4-Furandicarboxylic acid, 2,5-diphenyl-
CAS No: 19799-49-6 Catalog No: AG002B7G MDL No:
Product Description
Catalog Number:
AG002B7G
Chemical Name:
3,4-Furandicarboxylic acid, 2,5-diphenyl-
CAS Number:
19799-49-6
Molecular Formula:
C18H12O5
Molecular Weight:
308.2849
IUPAC Name:
2,5-diphenylfuran-3,4-dicarboxylic acid
InChI:
InChI=1S/C18H12O5/c19-17(20)13-14(18(21)22)16(12-9-5-2-6-10-12)23-15(13)11-7-3-1-4-8-11/h1-10H,(H,19,20)(H,21,22)
InChI Key:
QPKYPOMZPFDBEZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(oc(c1C(=O)O)c1ccccc1)c1ccccc1
NSC Number:
3437
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.068g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.289g/mol
Monoisotopic Mass:
308.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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