Basic information
- CAS
10442-48-5- Standard SMILES
CC(Oc1ccc(I)cc1)C(=O)O- InChIKey
ITUIVIPEOVLCML-UHFFFAOYSA-N- Molecular formula
- C9H9IO3
- Average molar mass
- 292.07 g/mol
- Monoisotopic mass
- 291.95964
Names & identifiers
- Preferred name
- 2-(4-iodophenoxy)propanoic Acid
- IUPAC
- 2-(4-iodophenoxy)propanoic acid
- English name
- Propanoic acid, 2-(4-iodophenoxy)-
- Molecular formula
- C9H9IO3
- Molecular weight
- 292.07
Names & synonyms
2-(4-iodophenoxy)propanoic Acid10442-48-5DTXSID00404963RefChem:252432DTXCID70355817Propanoic acid, 2-(4-iodophenoxy)-MFCD01764415Oprea1_5783922-(4-iodophenoxy)propanoicAcidCCG-890KAA44247SBB073608
Show more names
STL415012AKOS005169511ST51061803F428823
Database identifiers
- CAS
10442-48-5- PubChem CID
- 4619035
- DTXSID
DTXSID00404963
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 360.2 · 360.2±22.0 °C(Predicted)
- Density
- 1.786 · 1.786±0.06 g/cm3(Predicted)
- pka
- 3.13 · 3.13±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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