Basic information
- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc(O)cc1- InChIKey
GYPAUSRXYPLNAP-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- Ethyl 2-(4-hydroxyphenoxy)-2-methylpropanoate
- IUPAC
- ethyl 2-(4-hydroxyphenoxy)-2-methylpropanoate
- English name
- 2-(4-Hydroxyphenoxy)-2-methylpropionic acid ethyl ester
- Molecular formula
- C12H16O4
- Molecular weight
- 224.25
Names & synonyms
Ethyl 2-(4-hydroxyphenoxy)-2-methylpropanoate42806-90-6Propanoic acid, 2-(4-hydroxyphenoxy)-2-methyl-, ethyl esterEthyl (p-hydroxyphenoxy)isobutyrateVMV7N7KV4WNSC-1716612-(4-hydroxyphenoxy)-2-methyl propionic acid ethyl esterNSC 171661UNII-VMV7N7KV4WSCHEMBL1994202-(4-Hydroxyphenoxy)-2-methylpropionic acid ethyl esterDTXSID30962708
Show more names
NSC171661DB-364073Ethyl2-(4-hydroxyphenoxy)-2-methylpropanoateethyl 2-(4-hydroxyphenoxy)-2-methylpropionateethyl 2-methyl-2-(4-hydroxyphenoxy)propionateEthyl 2-(4-hydroxy-phenoxy)-2-methyl-propionateEthyl 2-(4-hydroxyphenoxy)-2-methylpropanoate #A1-08857
Database identifiers
- CAS
42806-90-6- PubChem CID
- 181741
- DTXSID
DTXSID30962708- UNII
- VMV7N7KV4W
- Nikkaji
- J114.371I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 335.1 · 335.1±17.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- pka
- 10.06 · 10.06±0.15(Predicted)
- FDA UNII
- 7 N7KV4W · VMV7N7KV4W
Chemistry & industry
Suppliers5 total
吉林中科研伸科技有限公司18143011203 · [email protected]
南京协诺生物技术有限公司025-84112752 13805181430 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
56 records
Linked notes
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