Basic information
- CAS
52804-26-9- Standard SMILES
O=C(O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1- InChIKey
WIWCHWGNONICJI-UHFFFAOYSA-N- Molecular formula
- C18H22O3
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.15689456
Names & identifiers
- Preferred name
- PMID26882240-Compound-8
- IUPAC
- 2-[4-(1-adamantyl)phenoxy]acetic acid
- English name
- 2-(4-(adaMantan-1-yl)phenoxy)acetic acid
- Molecular formula
- C18H22O3
- Molecular weight
- 286.37
Names & synonyms
52804-26-9PMID26882240-Compound-8RefChem:373625[4-(1-Adamantyl)phenoxy]acetic acid2-(4-(adamantan-1-yl)phenoxy)acetic acid2-[4-(1-adamantyl)phenoxy]acetic acidMFCD00168197(4-Adamantan-1-yl-phenoxy)-acetic acid2-[4-(adamantan-1-yl)phenoxy]acetic acid2-(4-adamantanylphenoxy)acetic acidacetic acid, (4-tricyclo[3.3.1.1~3,7~]dec-1-ylphenoxy)-(4-(1-ADAMANTYL)PHENOXY)ACETIC ACID
Show more names
ST071038BAS 00285042[4-(Adamantyl-1)phenoxy]acetic acid(4-AdaMantan-1-yl-phenoxy)-aceticacid2-[4-(1-adamantyl)phenoxy]ethanoic acid[4-(1-adamantyl)phenoxy]acetic acid,95%
Oprea1_157400Oprea1_723072CBDivE_002637SCHEMBL421046CHEMBL4446911Acetic acid, (4-tricyclo[3.3.1.13,7]dec-1-ylphenoxy)-DTXSID20347747p-(1-adamantyl)phenoxyacetic acid
Database identifiers
- CAS
52804-26-9
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 168 · 168-170℃ (acetic acid water )
- Boiling point
- 441.1 · 441.1±28.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.21 · 3.21±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers35 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
重庆茂环科技有限公司13996103726 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
贵州易妥化学科技有限公司18628235590 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
Related reactions
48 records
Compound notes
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