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

2,3-dihydro-3,5-dihydroxy-4H-Pyran-4-one
Compound Structure:
Synonyms: 2,3-dihydro-3,5-dihydroxy-(4H)-pyran-4-one;147235-40-3;2,3-dihydro-3,5-dihydroxy-4h-pyran-4-on
Compound ID: NMPC-160
PubChem ID:

6429124
Molecular Formula: C5H6O4
Canonical SMILES: C1C(C(=O)C(=CO1)O)O
InChIKey: QVQTZFXVGAPBRV-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

130.10 g/mol

XLogP3-AA

-0.7

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

0

Exact Mass

130.02660867 g/mol

Monoisotopic Mass

130.02660867 g/mol

Topological Polar Surface Area

66.8Ų

Heavy Atom Count

9

Formal Charge

0

Complexity

160

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: Tamarindus indica
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