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13653-84-4 | [1,1':4',1''-Terphenyl]-4,4''-dicarboxylic Acid
CAS No: 13653-84-4 Catalog No: AG00121Z MDL No:MFCD00389774
Product Description
Catalog Number:
AG00121Z
Chemical Name:
[1,1':4',1''-Terphenyl]-4,4''-dicarboxylic Acid
CAS Number:
13653-84-4
Molecular Formula:
C20H14O4
Molecular Weight:
318.3228
MDL Number:
MFCD00389774
IUPAC Name:
4-[4-(4-carboxyphenyl)phenyl]benzoic acid
InChI:
InChI=1S/C20H14O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H,(H,21,22)(H,23,24)
InChI Key:
FZTIWOBQQYPTCJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)O
Properties
Complexity:
395
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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