Basic information
- CAS
29052-07-1- Standard SMILES
CCCC(=O)Oc1cccc(I)c1- InChIKey
JWOQOACTXCRCGB-UHFFFAOYSA-N- Molecular formula
- C10H11IO2
- Average molar mass
- 290.1 g/mol
- Monoisotopic mass
- 289.98038
Names & identifiers
- Preferred name
- (3-Iodophenyl) butanoate
- IUPAC
- (3-iodophenyl) butanoate
- English name
- Butyric acid, m-iodophenyl ester
- Molecular formula
- C10H11IO2
- Molecular weight
- 290.1
Names & synonyms
(3-iodophenyl) butanoate29052-07-1DTXSID40346550RefChem:207677DTXCID702976223-IODOPHENYL BUTANOATEButyric acid, m-iodophenyl ester3-Iodophenyl butyrate #SCHEMBL27869988JWOQOACTXCRCGB-UHFFFAOYSA-NButanoic acid, 3-iodophenyl ester
Database identifiers
- CAS
29052-07-1- PubChem CID
- 613173
- DTXSID
DTXSID40346550- Nikkaji
- J108.190J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 313.4 · 313.4±25.0 °C(Predicted)
- Density
- 1.592 · 1.592±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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