3-Hydroxytetrahydro-2,6-methanofuro(3,2-b)furan-5(2H)-one

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Basic information

CAS: 90129-15-0
Standard SMILES: O=C1OC2C(O)C3CC1C2O3
InChIKey: IUWAMQNGWSPGTQ-UHFFFAOYSA-N
Molecular formula: C7H8O4
Average molar mass: 156.14 g/mol
Monoisotopic mass: 156.04225873

Names & identifiers

Preferred name: 3-Hydroxytetrahydro-2,6-methanofuro(3,2-b)furan-5(2H)-one
IUPAC: 2-hydroxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one

Names & synonyms

90129-15-03-Hydroxytetrahydro-2,6-methanofuro(3,2-b)furan-5(2H)-one3-Hydroxytetrahydro-2,6-methanofuro[3,2-b]furan-5(2H)-oneNSC 118151DTXSID801009172RefChem:279986DTXCID901435996NSC118151Acedoben Impurity 14SCHEMBL964481NSC-118151SY044707

Show more names

2-hydroxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one

Database identifiers

CAS: 90129-15-0
PubChem CID: 273154
DTXSID: DTXSID801009172

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 226

Related reactions

1 records

New reaction record

HRID 301444As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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