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13962-92-0 | [1,1':4',1''-Terphenyl]-2',5'-dicarboxylic acid
CAS No: 13962-92-0 Catalog No: AG001BEL MDL No:MFCD00628775
Product Description
Catalog Number:
AG001BEL
Chemical Name:
[1,1':4',1''-Terphenyl]-2',5'-dicarboxylic acid
CAS Number:
13962-92-0
Molecular Formula:
C20H14O4
Molecular Weight:
318.3228
MDL Number:
MFCD00628775
IUPAC Name:
2,5-diphenylterephthalic acid
InChI:
InChI=1S/C20H14O4/c21-19(22)17-12-16(14-9-5-2-6-10-14)18(20(23)24)11-15(17)13-7-3-1-4-8-13/h1-12H,(H,21,22)(H,23,24)
InChI Key:
XSLGXTDGDJULAR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c2ccccc2)c(cc1c1ccccc1)C(=O)O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.328g/mol
Monoisotopic Mass:
318.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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