Basic information
- CAS
122761-89-1- Standard SMILES
CCOC(=O)CC1COCc2c1[nH]c1c(CC)cccc21- InChIKey
HYSAIAQQVCUZRP-UHFFFAOYSA-N- Molecular formula
- C17H21NO3
- Average molar mass
- 287.35 g/mol
- Monoisotopic mass
- 287.15214353
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4,6-Diethyl-1,3,4,5-tetrahydropyrano(4,3-b)indole-4-acetic acid
- IUPAC
- ethyl 2-(6-ethyl-1,3,4,5-tetrahydropyrano[4,3-b]indol-4-yl)acetate
- English name
- 4,6-diethyl-1,3,4,5-tetrahydropyrano(4,3-b)indole-4-acetic acid
- Molecular formula
- C17H21NO3
- Molecular weight
- 287.35
Names & synonyms
ETIAA122761-89-14,6-Diethyl-1,3,4,5-tetrahydropyrano(4,3-b)indole-4-acetic acidRefChem:96640ethyl 2-(6-ethyl-1,3,4,5-tetrahydropyrano[4,3-b]indol-4-yl)acetateDTXSID00924272Ethyl (6-ethyl-1,3,4,5-tetrahydropyrano[4,3-b]indol-4-yl)acetatePyrano[4,3-b]indole-4-acetic acid, 4,6-diethyl-1,3,4,5-tetrahydro-
Database identifiers
- CAS
122761-89-1- PubChem CID
- 129773
- DTXSID
DTXSID00924272
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 507.9 · 507.9±45.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- pka
- 4.52 · 4.52±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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