Basic information
- CAS
46985-27-7- Standard SMILES
CC(=O)CCN1Cc2cc3c(cc2C(O)C1)OCO3- InChIKey
DOCFTWOBHIMVHN-UHFFFAOYSA-N- Molecular formula
- C14H17NO4
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.11575802
Names & identifiers
- Preferred name
- 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one
- IUPAC
- 4-(8-hydroxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)butan-2-one
Names & synonyms
46985-27-74-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one4-(8-Hydroxy-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)butan-2-oneNSC131699478020-05-2DTXSID80299637DTXSID80963947DOCFTWOBHIMVHN-UHFFFAOYSA-NAKOS004907094NSC-1316994-(8-Hydroxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)butan-2-one
Database identifiers
- CAS
46985-27-7、478020-05-2- PubChem CID
- 280243
- DTXSID
DTXSID80299637
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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