Ipomeanine
Basic information
- CAS
496-06-0- Standard SMILES
CC(=O)CCC(=O)c1ccoc1- InChIKey
VUENWDJSJYJARL-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Overview
Ipomeanine is an aromatic ketone.
Names & identifiers
- Preferred name
- Ipomeanine
- IUPAC
- 1-(furan-3-yl)pentane-1,4-dione
- English name
- ipomeanine
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
1-(furan-3-yl)pentane-1,4-dione496-06-0IpomeanineIpomeanin1-(3-Furanyl)-1,4-pentanedione1-(3-Furyl)-1,4-pentanedionebeta-(gamma-Oxovaleroyl)furan1,4-Pentanedione, 1-(3-furyl)-1,4-Pentanedione, 1-(3-furanyl)-3137OSG29LNSC-347116DTXSID50197919
Show more names
RefChem:148642DTXCID60120410NSC 347116BRN 01258981-(3-furyl)pentane-1,4-dioneMFCD017092745-17-11-00137 (Beilstein Handbook Reference)UNII-3137OSG29L
Database identifiers
- CAS
496-06-0- PubChem CID
- 100689
- DTXSID
DTXSID50197919- ChEBI
CHEBI:173750- UNII
- 3137OSG29L
- Nikkaji
- J11.792G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
Melting Point42 - 43 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 42.5 °C · 42.5°C
- Boiling point
- 234.38 °C · 234.38°C (rough estimate)
- Density
- 1.1097 · 1.1097 (rough estimate)
- refractive index
- 1.4371 · 1.4371 (estimate)
- storage temp.
- 2 · 2-8°C
- LogP
- 0.67 · 0.670 (est)
- FDA UNII
- 3137 OSG29L · 3137OSG29L
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: Ipomeanine is an aromatic ketone.
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Related reactions
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Compound notes
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