Furo(2,3-g)-1,4-benzodioxin-7-carboxylic acid, 8-methyl-, 2-piperidinoethyl ester, hydrochloride
Basic information
- CAS
35685-97-3- Standard SMILES
Cc1c(C(=O)OCC[NH+]2CCCCC2)oc2cc3c(cc12)OC=CO3.[Cl-]- InChIKey
PEADGMIQEUCUMF-UHFFFAOYSA-N- Molecular formula
- C19H22ClNO5
- Average molar mass
- 379.8 g/mol
- Monoisotopic mass
- 379.1186505
Names & identifiers
- Preferred name
- Furo(2,3-g)-1,4-benzodioxin-7-carboxylic acid, 8-methyl-, 2-piperidinoethyl ester, hydrochloride
- IUPAC
- 2-piperidin-1-ium-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate chloride
Names & synonyms
35685-97-3Furo(2,3-g)-1,4-benzodioxin-7-carboxylic acid, 8-methyl-, 2-piperidinoethyl ester, hydrochlorideRefChem:345912
Database identifiers
- CAS
35685-97-3- PubChem CID
- 37216
Properties
Computed structural properties
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
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Compound notes
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