Dehydroacetic acid sodium salt monohydrate - CAS 64039-28-7
Catalog: |
BB032355 |
Product Name: |
Dehydroacetic acid sodium salt monohydrate |
CAS: |
64039-28-7 |
Synonyms: |
0 |
IUPAC Name: | sodium;3-acetyl-6-methylpyran-3-ide-2,4-dione;hydrate |
Description: | Dehydroacetic acid sodium salt monohydrate (CAS# 64039-28-7 ) is a useful research chemical. |
Molecular Weight: | 208.14 |
Molecular Formula: | C8H7NaO4 · H2O |
Canonical SMILES: | 0 |
InChI: | 0 |
InChI Key: | 0 |
Boiling Point: | 352.8 °C at 760 mmHg |
Appearance: | White to off-white powder |
MDL: | MFCD01694098 |
LogP: | 1.23030 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.03476767 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.03476767 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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