Basic information
- CAS
129833-03-0- Standard SMILES
CC(=O)[C@@]1(C)O[C@]12C(=O)C=Cc1ccccc12- InChIKey
RYQVPNYYLXBCST-ZIAGYGMSSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- cis-(+)-3'-Acetyl-3'-methylspiro(naphthalene-1(2H),2'-oxiran)-2-one
- IUPAC
- (1S,3'S)-3'-acetyl-3'-methylspiro[naphthalene-1,2'-oxirane]-2-one
Names & synonyms
cis-(+)-3'-Acetyl-3'-methylspiro(naphthalene-1(2H),2'-oxiran)-2-one129833-03-0CCRIS 4169CIS-(+)-3'-ACETYL-3'-METHYLSPIRO[NAPHTHALENE-1(2H),2'-OXIRAN]-2-ONEDTXSID20156250(1S,3'S)-3'-Acetyl-3'-methyl-2H-spiro[naphthalene-1,2'-oxiran]-2-one
Database identifiers
- CAS
129833-03-0- PubChem CID
- 154338
- DTXSID
DTXSID20156250
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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