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19799-42-9 | 2,5-Thiophenedicarboxylic acid, 3,4-diphenyl-
CAS No: 19799-42-9 Catalog No: AG002B7H MDL No:MFCD00207874
Product Description
Catalog Number:
AG002B7H
Chemical Name:
2,5-Thiophenedicarboxylic acid, 3,4-diphenyl-
CAS Number:
19799-42-9
Molecular Formula:
C18H12O4S
Molecular Weight:
324.3505
MDL Number:
MFCD00207874
IUPAC Name:
3,4-diphenylthiophene-2,5-dicarboxylic acid
InChI:
InChI=1S/C18H12O4S/c19-17(20)15-13(11-7-3-1-4-8-11)14(16(23-15)18(21)22)12-9-5-2-6-10-12/h1-10H,(H,19,20)(H,21,22)
InChI Key:
UHMRUNRNPULYJU-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(c(c1c1ccccc1)c1ccccc1)C(=O)O
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.046g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.35g/mol
Monoisotopic Mass:
324.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| N,N'-Bis(2-amino-phen-yl)-3,4-diphenyl-thio-phene-2,5-dicarboxamide acetonitrile solvate. | Acta crystallographica. Section E, Structure reports online 20100401 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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