Basic information
- CAS
50332-03-1- Standard SMILES
Cc1c(CC(=O)O)c2cc3c(cc2n1C(=O)c1ccccc1)OCO3- InChIKey
WZLOLPPYPXEDFU-UHFFFAOYSA-N- Molecular formula
- C19H15NO5
- Average molar mass
- 337.3 g/mol
- Monoisotopic mass
- 337.09502258
Names & identifiers
- Preferred name
- 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-benzoyl-6-methyl-
- IUPAC
- 2-(5-benzoyl-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)acetic acid
Names & synonyms
BRN 10396305H-1,3-DIOXOLO(4,5-f)INDOLE-7-ACETIC ACID, 5-BENZOYL-6-METHYL-50332-03-15-Benzoyl-6-methyl-5H-1,3-dioxolo(4,5-f)indole-7-acetic acidDTXSID00198350RefChem:305246DTXCID30120841(5-Benzoyl-6-methyl-2H,5H-[1,3]dioxolo[4,5-f]indol-7-yl)acetic acid
Database identifiers
- CAS
50332-03-1- PubChem CID
- 39614
- DTXSID
DTXSID00198350- Nikkaji
- J83.729F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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