2,4,6-Trihydroxybenzoic Acid Monohydrate - CAS 71989-93-0
Catalog: |
BB034509 |
Product Name: |
2,4,6-Trihydroxybenzoic Acid Monohydrate |
CAS: |
71989-93-0 |
Synonyms: |
2,4,6-trihydroxybenzoic acid;hydrate; 2,4,6-trihydroxybenzoic acid;hydrate |
IUPAC Name: | 2,4,6-trihydroxybenzoic acid;hydrate |
Description: | 2,4,6-Trihydroxybenzoic Acid Monohydrate (CAS# 71989-93-0) is a useful research chemical. |
Molecular Weight: | 188.13 |
Molecular Formula: | C7H8O6 |
Canonical SMILES: | C1=C(C=C(C(=C1O)C(=O)O)O)O.O |
InChI: | InChI=1S/C7H6O5.H2O/c8-3-1-4(9)6(7(11)12)5(10)2-3;/h1-2,8-10H,(H,11,12);1H2 |
InChI Key: | HWZIRFCGHAROOI-UHFFFAOYSA-N |
Boiling Point: | 426.5 °C at 760 mmHg |
Melting Point: | 205 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 90 % |
Appearance: | Beige powder |
MDL: | MFCD00149095 |
LogP: | 0.43730 |
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 |
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PMID | Publication Date | Title | Journal |
18681865 | 20081001 | Transcriptional analysis of the queD gene coding for quercetinase of Streptomyces sp. FLA | FEMS microbiology letters |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.03208797 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.03208797 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 99 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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