2,5-Dihydroxy-1,4-benzenediphosphonic acid - CAS 91633-16-8
Catalog: |
BB043154 |
Product Name: |
2,5-Dihydroxy-1,4-benzenediphosphonic acid |
CAS: |
91633-16-8 |
Synonyms: |
SCHEMBL5025528; 2,5-Diphosphonobenzene-1,4-diol; AKOS017345051 |
IUPAC Name: | (2,5-dihydroxy-4-phosphonophenyl)phosphonic acid |
Description: | 2,5-Dihydroxy-1,4-benzenediphosphonic acid (CAS# 91633-16-8 ) is a useful research chemical. |
Molecular Weight: | 270.07 |
Molecular Formula: | C6H8O8P2 |
Canonical SMILES: | C1=C(C(=CC(=C1P(=O)(O)O)O)P(=O)(O)O)O |
InChI: | InChI=1S/C6H8O8P2/c7-3-1-5(15(9,10)11)4(8)2-6(3)16(12,13)14/h1-2,7-8H,(H2,9,10,11)(H2,12,13,14) |
InChI Key: | OOQKJCSMVDNOHI-UHFFFAOYSA-N |
Purity: | 98 % (31P NMR) |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.9694412 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 6 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.9694412 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 156 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.6 |
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