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

Technical Data

Safety and Hazards

Computed Properties

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

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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:	46.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3