Basic information
- CAS
106331-89-9- Standard SMILES
CCCOc1c(I)cc(C=O)cc1OC- InChIKey
WJFHRYWKLRKARI-UHFFFAOYSA-N- Molecular formula
- C11H13IO3
- Average molar mass
- 320.12 g/mol
- Monoisotopic mass
- 319.99094228
Names & identifiers
- Preferred name
- 3-Iodo-5-methoxy-4-propoxybenzaldehyde
- IUPAC
- 3-iodo-5-methoxy-4-propoxybenzaldehyde
- English name
- 3-iodo-5-methoxy-4-propoxyBenzaldehyde
- Molecular formula
- C11H13IO3
- Molecular weight
- 320.12
Names & synonyms
3-iodo-5-methoxy-4-propoxybenzaldehyde106331-89-9DTXSID00406381RefChem:280063DTXCID50357233MFCD022571473-iodo-5-methoxy-4-propoxy-benzaldehydeSCHEMBL8110374WJFHRYWKLRKARI-UHFFFAOYSA-NGEA33189SBB020049AKOS000295073
Show more names
Benzaldehyde, 3-iodo-5-methoxy-4-propoxy-
3-Methoxy-4-propoxy-5-iodobenzaldehyde5-iodo-3-methoxy-4-propoxybenzaldehvde5-iodo-3-methoxy-4-propoxybenzaldehyde5-iodo 3-methoxy-4-n-propoxybenzaldehydeDA-15873CS-0240358ST45168320EN300-228082
Database identifiers
- CAS
106331-89-9- PubChem CID
- 4770101
- DTXSID
DTXSID00406381
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 385.4 · 385.4±42.0 °C(Predicted)
- Density
- 1.567 · 1.567±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
上海德轩医药科技有限公司[email protected] · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
7 records
Compound notes
Loading…