Basic information
- CAS
50332-05-3- Standard SMILES
COc1ccc(C(=O)n2c(C)c(CC(=O)O)c3cc4c(cc32)OCO4)cc1- InChIKey
ZEQBURZLVOHZFU-UHFFFAOYSA-N- Molecular formula
- C20H17NO6
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.10558726
Names & identifiers
- Preferred name
- 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-(p-anisoyl)-6-methyl-
- IUPAC
- 2-[5-(4-methoxybenzoyl)-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid
- English name
- 5-(p-Anisoyl)-6-methyl-5H-1,3-dioxolo[4,5-f]indole-7-acetic acid
- Molecular formula
- C20H17NO6
- Molecular weight
- 367.35
Names & synonyms
BRN 104654050332-05-35H-1,3-DIOXOLO(4,5-f)INDOLE-7-ACETIC ACID, 5-(p-ANISOYL)-6-METHYL-DTXSID601983515-(p-Anisoyl)-6-methyl-5H-1,3-dioxolo(4,5-f)indole-7-acetic acid5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-(4-methoxybenzoyl)-6-methyl-5-(p-Anisoyl)-6-methyl-5H-1,3-dioxolo[4,5-f]indole-7-acetic acidRefChem:305241DTXCID90120842[5-(4-Methoxybenzoyl)-6-methyl-2H,5H-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid5H-1,3-Dioxolo[4,5-f]indole-7-acetic acid, 5-(4-methoxybenzoyl)-6-methyl-
Database identifiers
- CAS
50332-05-3- PubChem CID
- 39615
- DTXSID
DTXSID60198351- Nikkaji
- J83.728H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- Boiling point
- 527.4 · 527.4±50.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 4.12 · 4.12±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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