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135989-69-4 | Benzophenone-2,4,5-tricarboxylic Acid
CAS No: 135989-69-4 Catalog No: AG003O2O MDL No:
Product Description
Catalog Number:
AG003O2O
Chemical Name:
Benzophenone-2,4,5-tricarboxylic Acid
CAS Number:
135989-69-4
Molecular Formula:
C16H10O7
Molecular Weight:
314.2464
IUPAC Name:
5-benzoylbenzene-1,2,4-tricarboxylic acid
InChI:
InChI=1S/C16H10O7/c17-13(8-4-2-1-3-5-8)9-6-11(15(20)21)12(16(22)23)7-10(9)14(18)19/h1-7H,(H,18,19)(H,20,21)(H,22,23)
InChI Key:
OGQPSIOWWYARAZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C(=O)O)c(cc1C(=O)c1ccccc1)C(=O)O
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.043g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
314.249g/mol
Monoisotopic Mass:
314.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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