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113710-69-3 | [1,1':3',1''-Terphenyl]-5'-carboxylic acid, 4'-benzoyl- (9CI)
CAS No: 113710-69-3 Catalog No: AG0009EV MDL No:
Product Description
Catalog Number:
AG0009EV
Chemical Name:
[1,1':3',1''-Terphenyl]-5'-carboxylic acid, 4'-benzoyl- (9CI)
CAS Number:
113710-69-3
Molecular Formula:
C26H18O3
Molecular Weight:
378.4193
IUPAC Name:
2-benzoyl-3,5-diphenylbenzoic acid
InChI:
InChI=1S/C26H18O3/c27-25(20-14-8-3-9-15-20)24-22(19-12-6-2-7-13-19)16-21(17-23(24)26(28)29)18-10-4-1-5-11-18/h1-17H,(H,28,29)
InChI Key:
FYPDIRUBQYXZEV-UHFFFAOYSA-N
SMILES:
O=C(c1c(cc(cc1c1ccccc1)c1ccccc1)C(=O)O)c1ccccc1
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.126g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.427g/mol
Monoisotopic Mass:
378.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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