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828912-29-4 | 1,2,4-Benzenetricarboxylic acid, 5-(2,4-dihydroxybenzoyl)-
CAS No: 828912-29-4 Catalog No: AG00559H MDL No:
Product Description
Catalog Number:
AG00559H
Chemical Name:
1,2,4-Benzenetricarboxylic acid, 5-(2,4-dihydroxybenzoyl)-
CAS Number:
828912-29-4
Molecular Formula:
C16H10O9
Molecular Weight:
346.2452
IUPAC Name:
5-(2,4-dihydroxybenzoyl)benzene-1,2,4-tricarboxylic acid
InChI:
InChI=1S/C16H10O9/c17-6-1-2-7(12(18)3-6)13(19)8-4-10(15(22)23)11(16(24)25)5-9(8)14(20)21/h1-5,17-18H,(H,20,21)(H,22,23)(H,24,25)
InChI Key:
GKSDIIQIJVYMTK-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.032g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
346.247g/mol
Monoisotopic Mass:
346.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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