3-(3-Epoxymethoxyphenyl)thieno[2,3-d]isoxazole

HCID 86742016
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Basic information

Standard SMILES
COc1c(-c2noc3ccsc23)ccc2c1O2
InChIKey
XTWOACKLGLMABE-UHFFFAOYSA-N
Molecular formula
C12H7NO3S
Average molar mass
245.26 g/mol
Monoisotopic mass
245.01466426

Names & identifiers

Preferred name
3-(3-Epoxymethoxyphenyl)thieno[2,3-d]isoxazole
IUPAC
3-(2-methoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-trien-3-yl)thieno[2,3-d][1,2]oxazole

Names & synonyms

SCHEMBL5458860XTWOACKLGLMABE-UHFFFAOYSA-N3-(3-Epoxymethoxyphenyl)thieno[2,3-d]isoxazole

Database identifiers

PubChem CID
86742016

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
76 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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