Basic information
- CAS
1520859-18-0- Standard SMILES
O=C(O)c1coc2c1C(O)CCC2- InChIKey
NHBSLGKKZKVOEQ-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- 4-Hydroxy-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
- IUPAC
- 4-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
Names & synonyms
4-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid1520859-18-0VKC85918AKOS023410617EN300-1699173Z27325745104-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylicacid
Database identifiers
- CAS
1520859-18-0- PubChem CID
- 83678956
- EC Number
- 880-422-7
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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