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192699-93-7 | Benzoic acid, 2-[bis[4-(4-benzoylphenoxy)phenyl]methyl]-
CAS No: 192699-93-7 Catalog No: AG002G7D MDL No:
Product Description
Catalog Number:
AG002G7D
Chemical Name:
Benzoic acid, 2-[bis[4-(4-benzoylphenoxy)phenyl]methyl]-
CAS Number:
192699-93-7
Molecular Formula:
C46H32O6
Molecular Weight:
680.7427
IUPAC Name:
2-[bis[4-(4-benzoylphenoxy)phenyl]methyl]benzoic acid
InChI:
InChI=1S/C46H32O6/c47-44(33-9-3-1-4-10-33)35-19-27-39(28-20-35)51-37-23-15-31(16-24-37)43(41-13-7-8-14-42(41)46(49)50)32-17-25-38(26-18-32)52-40-29-21-36(22-30-40)45(48)34-11-5-2-6-12-34/h1-30,43H,(H,49,50)
InChI Key:
UJIIFTBFFGCKBO-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)c1ccc(cc1)Oc1ccc(cc1)C(c1ccccc1C(=O)O)c1ccc(cc1)Oc1ccc(cc1)C(=O)c1ccccc1
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
680.22g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
680.756g/mol
Monoisotopic Mass:
680.22g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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