4-Nitrocatechol sulfate dipotassium salt - CAS 14528-64-4
Catalog: |
BB009916 |
Product Name: |
4-Nitrocatechol sulfate dipotassium salt |
CAS: |
14528-64-4 |
Synonyms: |
dipotassium;(5-nitro-2-oxidophenyl) sulfate |
IUPAC Name: | dipotassium;(5-nitro-2-oxidophenyl) sulfate |
Description: | 4-Nitrocatechol sulfate dipotassium salt (CAS# 14528-64-4) is a compound useful in organic synthesis. |
Molecular Weight: | 311.35 |
Molecular Formula: | C6H3K2NO7S |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])OS(=O)(=O)[O-])[O-].[K+].[K+] |
InChI: | InChI=1S/C6H5NO7S.2K/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13;;/h1-3,8H,(H,11,12,13);;/q;2*+1/p-2 |
InChI Key: | CKWWBDCAYRJAJB-UHFFFAOYSA-L |
Density: | 1.87 g/cm3 |
MDL: | MFCD00007465 |
LogP: | 2.18160 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020156968-A2 | Calibration slides for digital pathology | 20190130 |
PMID | Publication Date | Title | Journal |
19555566 | 20090401 | [Enzymatic diagnosis of 47 cases with mucopolysaccharidosis] | Zhonghua er ke za zhi = Chinese journal of pediatrics |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.8904356 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.8904356 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 144 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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