RU 29209
Basic information
- CAS
64312-66-9- Standard SMILES
CC(C)=C[C@@H]1[C@H](C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C- InChIKey
FJDPATXIBIBRIM-BDTNDASRSA-N- Molecular formula
- C24H25NO3
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.18344366
Names & identifiers
- Preferred name
- RU 29209
- IUPAC
- trans-[cyano-(3-phenoxyphenyl)methyl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- English name
- (1R,3S)-3-(2,2-Dimethylethenyl)-2,2-dimethylcyclopropanecarboxylic acid (S)-cyano(3-phenoxyphenyl)methyl ester
- Molecular formula
- C24H25NO3
- Molecular weight
- 375.46
Names & synonyms
RU 29209RefChem:1098166FJDPATXIBIBRIM-NHXNGRAPSA-NCyclopropanecarboxylic acid, 3-(2,2-dimethylethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1R-(1-alpha(S*),3-alpha))-RU-29209(1R,3S)-3-(2,2-Dimethylethenyl)-2,2-dimethylcyclopropanecarboxylic acid (S)-cyano(3-phenoxyphenyl)methyl esterCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, cyano(3-phenoxyphenyl)methyl ester, [1R-[1α(S*),3α]]- (9CI)
Database identifiers
- CAS
64312-66-9- PubChem CID
- 47345
- Nikkaji
- J3.710.377B
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 633
Physicochemical properties
- Boiling point
- 481.6 · 481.6±45.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
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Compound notes
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