Basic information
- CAS
50332-08-6- Standard SMILES
Cc1c(CC(=O)O)c2cc3c(cc2n1C(=O)c1cccs1)OCO3- InChIKey
HHWDIOVTZBAVKQ-UHFFFAOYSA-N- Molecular formula
- C17H13NO5S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.05144369
Names & identifiers
- Preferred name
- 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(2-thenoyl)-
- IUPAC
- 2-[6-methyl-5-(thiophene-2-carbonyl)-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid
- English name
- 6-Methyl-5-(2-thenoyl)-5H-1,3-dioxolo[4,5-f]indole-7-acetic acid
- Molecular formula
- C17H13NO5S
- Molecular weight
- 343.35
Names & synonyms
50332-08-65H-1,3-DIOXOLO(4,5-f)INDOLE-7-ACETIC ACID, 6-METHYL-5-(2-THENOYL)-DTXSID401983546-Methyl-5-(2-thenoyl)-5H-1,3-dioxolo(4,5-f)indole-7-acetic acid6-Methyl-5-(2-thenoyl)-5H-1,3-dioxolo[4,5-f]indole-7-acetic acid5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(2-thienylcarbonyl)-RefChem:305248DTXCID70120845DB-242819[6-Methyl-5-(thiophene-2-carbonyl)-2H,5H-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid5H-1,3-Dioxolo[4,5-f]indole-7-acetic acid, 6-methyl-5-(2-thienylcarbonyl)-
Database identifiers
- CAS
50332-08-6- PubChem CID
- 39618
- DTXSID
DTXSID40198354- Nikkaji
- J83.740G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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