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102059-70-1 | 1,3-Benzenedicarboxylic acid, 5-(benzoyloxy)-
CAS No: 102059-70-1 Catalog No: AG0006GR MDL No:
Product Description
Catalog Number:
AG0006GR
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-(benzoyloxy)-
CAS Number:
102059-70-1
Molecular Formula:
C15H10O6
Molecular Weight:
286.2363
IUPAC Name:
5-benzoyloxybenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C15H10O6/c16-13(17)10-6-11(14(18)19)8-12(7-10)21-15(20)9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,18,19)
InChI Key:
XDZUONXJNHZFMP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1cc(cc(c1)C(=O)O)C(=O)O
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.239g/mol
Monoisotopic Mass:
286.048g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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