2-[2-(3-oxobut-1-enyl)phenyl]acetic acid
![2-[2-(3-oxobut-1-enyl)phenyl]acetic acid Structure](https://image.chemsrc.com/caspic/352/93097-46-2.png)
2-[2-(3-oxobut-1-enyl)phenyl]acetic acid structure
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Common Name | 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid | ||
|---|---|---|---|---|
| CAS Number | 93097-46-2 | Molecular Weight | 204.22200 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H12O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: 2-[2-(3-Oxobut-1-enyl)phenyl]acetic acid (CAS: 93097-46-2, molecular formula: C12H12O3, molecular weight: 204.22200) For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.22200 |
| Exact Mass | 204.07900 |
| PSA | 54.37000 |
| LogP | 1.91590 |
| InChIKey | UBTALZYBQRJASB-UHFFFAOYSA-N |
| SMILES | CC(=O)C=Cc1ccccc1CC(=O)O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~91%
2-[2-(3-oxobut-... CAS#:93097-46-2 |
| Literature: Jung, Michael E.; Brown, Richard W.; Hagenah, Jeffrey A.; Strouse, Charles E. Tetrahedron Letters, 1984 , vol. 25, # 34 p. 3659 - 3662 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid? |
| A: Polar surface area (PSA) of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid is 54.37000. |
| Q: What is the SMILES notation of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid? |
| A: SMILES notation of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid is CC(=O)C=Cc1ccccc1CC(=O)O. |
| Q: What is the InChIKey of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid? |
| A: InChIKey of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid is UBTALZYBQRJASB-UHFFFAOYSA-N. |
| Q: What is the LogP of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid? |
| A: LogP of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid is 1.91590. |
| Q: What is the molecular weight of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid? |
| A: Molecular weight of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid is 204.22200. |
| Q: What is the CAS number of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid? |
| A: CAS number of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid is 93097-46-2. |
| Q: What is the English name of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid? |
| A: The English name of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid is 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid. |
| Q: What is the molecular formula of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid? |
| A: Molecular formula of 2-[2-(3-oxobut-1-enyl)phenyl]acetic acid is C12H12O3. |
| Q: What is the Chinese name of 93097-46-2? |
| A: Chinese name of 93097-46-2 is 93097-46-2. |