1,2,3-Benzenetricarboxylic acid hydrate - CAS 732304-21-1
Catalog: |
BB034803 |
Product Name: |
1,2,3-Benzenetricarboxylic acid hydrate |
CAS: |
732304-21-1 |
Synonyms: |
1,2,3-Benzenetricarboxylic acid, hydrate (1:x); 1,2,3-Benzenetricarboxylic acid, hydrate; benzene-1,2,3-tricarboxylic acid hydrate (1:x) |
Related CAS: | 569-51-7 (anhydrous) 36362-97-7 (dihydrate)
|
IUPAC Name: | benzene-1,2,3-tricarboxylic acid;hydrate |
Description: | 1,2,3-Benzenetricarboxylic acid hydrate (CAS# 732304-21-1 ) is a useful research chemical. |
Molecular Weight: | 210.14 (anhydrous basis) |
Molecular Formula: | C9H6O6 · xH2O |
Canonical SMILES: | C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O.O |
InChI: | InChI=1S/C9H6O6.H2O/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;/h1-3H,(H,10,11)(H,12,13)(H,14,15);1H2 |
InChI Key: | DYDNZUYNRZENMU-UHFFFAOYSA-N |
Purity: | ≥95% |
MDL: | MFCD00002468 |
LogP: | 0.71690 |
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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Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.02700259 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.02700259 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 113 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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