3,5-Diphosphonobenzoic acid - CAS 1192028-87-7
Catalog: |
BB043049 |
Product Name: |
3,5-Diphosphonobenzoic acid |
CAS: |
1192028-87-7 |
Synonyms: |
3,5-Bis(phosphono)benzoic acid; CTK7I6705; Benzoic acid, 3,5-diphosphono- |
IUPAC Name: | 3,5-diphosphonobenzoic acid |
Description: | 3,5-Diphosphonobenzoic acid (CAS# 1192028-87-7 ) is a useful research chemical. |
Molecular Weight: | 282.08 |
Molecular Formula: | C7H8O8P2 |
Canonical SMILES: | C1=C(C=C(C=C1P(=O)(O)O)P(=O)(O)O)C(=O)O |
InChI: | InChI=1S/C7H8O8P2/c8-7(9)4-1-5(16(10,11)12)3-6(2-4)17(13,14)15/h1-3H,(H,8,9)(H2,10,11,12)(H2,13,14,15) |
InChI Key: | HXOXJADBHBIMKM-UHFFFAOYSA-N |
Complexity: | 365 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.9694412 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.9694412 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 152 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.5 |
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