Basic information
- CAS
937602-52-3- Standard SMILES
O=C(O)c1cc(-c2cccc(OCCO)c2)on1- InChIKey
YYRYHGWWJXJCSZ-UHFFFAOYSA-N- Molecular formula
- C12H11NO5
- Average molar mass
- 249.22 g/mol
- Monoisotopic mass
- 249.06372245
Names & identifiers
- Preferred name
- 5-[3-(2-Hydroxyethoxy)phenyl]-3-isoxazolecarboxylic acid
- IUPAC
- 5-[3-(2-hydroxyethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
Names & synonyms
5-[3-(2-Hydroxyethoxy)phenyl]-3-isoxazolecarboxylic acidDTXSID501202351937602-52-35-[3-(2-hydroxyethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
Database identifiers
- CAS
937602-52-3- PubChem CID
- 19622751
- DTXSID
DTXSID501202351
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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