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2,5-Bis-hydroxymethyl-2,3-dihydrobenzofuran

HCID 20163652
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OCc1ccc2c(c1)CC(CO)O2
InChIKey
SUOCEMQECDGKLM-UHFFFAOYSA-N
Molecular formula
C10H12O3
Average molar mass
180.2 g/mol

Names & identifiers

Preferred name
2,5-Bis-hydroxymethyl-2,3-dihydrobenzofuran
IUPAC
[5-(hydroxymethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol

Names & synonyms

SCHEMBL10368996SUOCEMQECDGKLM-UHFFFAOYSA-N2,5-bis-hydroxymethyl-2,3-dihydrobenzofuran

Database identifiers

PubChem CID
20163652

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
49.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
172

Related reactions

2 records
New reaction record
HRID 256402 reaction equation
HRID 256402As productuspto-grants-1987_10
HRID 1539637 reaction equation
HRID 1539637As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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