Basic information
- Standard SMILES
CC(=O)O.CC(=O)OCC1(C)OCCc2c1[nH]c1ccccc21- InChIKey
WWCSWUQBKXIEOU-UHFFFAOYSA-N- Molecular formula
- C17H21NO5
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.14197277
Names & identifiers
- Preferred name
- Acetate 1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-methanol acetate
- IUPAC
- acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methyl acetate
Names & synonyms
SCHEMBL11624488WWCSWUQBKXIEOU-UHFFFAOYSA-Nacetate 1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-methanol acetate
Database identifiers
- PubChem CID
- 70622673
Properties
Computed structural properties
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 390
Related reactions
6 records
Compound notes
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