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828912-30-7 | 1,4-Benzenedicarboxylic acid, 2,5-bis(2,4-dihydroxybenzoyl)-
CAS No: 828912-30-7 Catalog No: AG004WF4 MDL No:
Product Description
Catalog Number:
AG004WF4
Chemical Name:
1,4-Benzenedicarboxylic acid, 2,5-bis(2,4-dihydroxybenzoyl)-
CAS Number:
828912-30-7
Molecular Formula:
C22H14O10
Molecular Weight:
438.3406
IUPAC Name:
2,5-bis(2,4-dihydroxybenzoyl)terephthalic acid
InChI:
InChI=1S/C22H14O10/c23-9-1-3-11(17(25)5-9)19(27)13-7-16(22(31)32)14(8-15(13)21(29)30)20(28)12-4-2-10(24)6-18(12)26/h1-8,23-26H,(H,29,30)(H,31,32)
InChI Key:
RJTAZRSXKVQUGH-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)c1ccc(cc1O)O
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.059g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
438.344g/mol
Monoisotopic Mass:
438.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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