Basic information
- CAS
18877-89-9- Standard SMILES
CC1(C)C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C- InChIKey
SSUHZYMJFMBVRM-UHFFFAOYSA-N- Molecular formula
- C20H24O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.17254462
Names & identifiers
- Preferred name
- AI 3-27749
- IUPAC
- (5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
- English name
- NRDC108
- Molecular formula
- C20H24O3
- Molecular weight
- 312.407
Names & synonyms
NRDC 108Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, (5-benzyl-3-furyl)methyl esterBRN 1589023AI3-27749AI 3-27749DTXSID901722455-Benzyl-3-furylmethyl 2,2,3,3-tetramethylcyclopropane carboxylateCyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, (5-(phenylmethyl)-3-furanyl)methyl esterCyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, [5-(phenylmethyl)-3-furanyl]methyl esterRefChem:317840DTXCID009473618877-89-9
Show more names
NRDC108
(5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylateSCHEMBL11776325
Database identifiers
- CAS
18877-89-9- PubChem CID
- 29323
- DTXSID
DTXSID90172245
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Toxicity
- 50 oral · LD50 oral in rat: 141mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in rat: 141mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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