1-Formyl-2-naphthalenyl 3-methylbutanoate
Basic information
- CAS
1177230-70-4- Standard SMILES
CC(C)CC(=O)Oc1ccc2ccccc2c1C=O- InChIKey
VIMYTDVRKQPDJY-UHFFFAOYSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Names & identifiers
- Preferred name
- 1-Formyl-2-naphthalenyl 3-methylbutanoate
- IUPAC
- (1-formylnaphthalen-2-yl) 3-methylbutanoate
Names & synonyms
1-Formyl-2-naphthalenyl 3-methylbutanoate1177230-70-4DTXSID1012723821-Formylnaphthalen-2-yl 3-methylbutanoate
Database identifiers
- CAS
1177230-70-4- PubChem CID
- 39199653
- DTXSID
DTXSID101272382
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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