4-hydroxy-6-(propan-2-yl)-2H-pyran-2-one - CAS 220809-37-0
Catalog: |
BB072913 |
Product Name: |
4-hydroxy-6-(propan-2-yl)-2H-pyran-2-one |
CAS: |
220809-37-0 |
Synonyms: |
4-hydroxy-6-(propan-2-yl)-2H-pyran-2-one; 4-Hydroxy-6-isopropyl-2H-pyran-2-one; 4-hydroxy-6-propan-2-ylpyran-2-one; 4-hydroxy-6-isopropyl-pyran-2-one; 4-?hydroxy-?6-?(propan-?2-?yl)?-?2H-?pyran-?2-?one; 4-hydroxy-6-isopropyl-2-pyrone |
IUPAC Name: | 4-hydroxy-6-propan-2-ylpyran-2-one |
Description: | 4-hydroxy-6-(propan-2-yl)-2H-pyran-2-one (cas# 220809-37-0) is a useful research chemical. |
Molecular Weight: | 154.16 |
Molecular Formula: | C8H10O3 |
Canonical SMILES: | CC(C)C1=CC(=CC(=O)O1)O |
InChI: | InChI=1S/C8H10O3/c1-5(2)7-3-6(9)4-8(10)11-7/h3-5,9H,1-2H3 |
InChI Key: | QJQGKFBKKILFFI-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.062994177 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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