Basic information
- CAS
1218693-48-1- Standard SMILES
CCc1ccc([C@H]2C[C@@H]2C(=O)O)cc1- InChIKey
SALSHFOAPVYIEB-MNOVXSKESA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- trans-(1S,2S)-2-(4-ethylphenyl)cyclopropane-1-carboxylic acid
- IUPAC
- trans-(1S,2S)-2-(4-ethylphenyl)cyclopropane-1-carboxylic acid
- English name
- trans-2-(4-ethylphenyl)cyclopropane-1-carboxylic acid
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
AKOS006315152trans-2-(4-ethylphenyl)cyclopropane-1-carboxylic acid(1R,2R)-2-(4-ethylphenyl)cyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 2-(4-ethylphenyl)-, (1R,2R)-rel-
Database identifiers
- CAS
1218693-48-1- PubChem CID
- 28912208
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 346.9 · 346.9±31.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- 4.59 · 4.59±0.10(Predicted)
Chemistry & industry
Suppliers4 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Aladdin Scientific[email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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