4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-

4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-
Compound Structure:
Synonyms: 2,3-Dihydro-3,5-dihydroxy-6-methyl-4h-pyran-4-one; 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-; 3,5-Dihydroxy-6-methyl-2H-pyran-4(3H)-one; 3,5-dihydroxy-6-methyl-2,3-dihydropyran-4-one; 3,5-Dihydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one
Compound ID: NMPC-317
PubChem ID:

119838
Molecular Formula: C6H8O4
Canonical SMILES: CC1=C(C(=O)C(CO1)O)O
InChIKey: VOLMSPGWNYJHQQ-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

144.12 g/mol

XLogP3-AA

-0.4

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

0

Exact Mass

144.04225873 g/mol

Monoisotopic Mass

144.04225873 g/mol

Topological Polar Surface Area

66.8Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

194

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Costus afer
Musa sapientum
Petiveria alliacea
Senna tora
Musa acuminata
Pausinystalia yohimbe
Citrullus vulgaris
Erythrina senegalensis
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