Basic information
- CAS
10410-30-7- Standard SMILES
COc1ccc2c(C)c(CCC(=O)O)oc2c1- InChIKey
VYAJLOADTLJALM-UHFFFAOYSA-N- Molecular formula
- C13H14O4
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.08920892
Names & identifiers
- Preferred name
- 3-(6-Methoxy-3-methyl-2-benzofuranyl)propionic acid
- IUPAC
- 3-(6-methoxy-3-methyl-1-benzofuran-2-yl)propanoic acid
Names & synonyms
3-(6-Methoxy-3-methyl-2-benzofuranyl)propionic acidVYAJLOADTLJALM-UHFFFAOYSA-N3-(6-Methoxy-3-methyl-1-benzofuran-2-yl)propanoic acid #
Database identifiers
- CAS
10410-30-7- PubChem CID
- 600428
- Nikkaji
- J1.392.253E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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