[(1r,4As,8ar)-7-methoxy-8a-(methoxymethyl)-5,8-dioxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid
Basic information
- CAS
104199-09-9- Standard SMILES
COC[C@]12C(=O)C(OC)=CC(=O)[C@H]1CC=C[C@H]2CC(=O)O- InChIKey
LENUGHYIKJSVEZ-FEUHOPSXSA-N- Molecular formula
- C15H18O6
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.11033829
Names & identifiers
- Preferred name
- [(1r,4As,8ar)-7-methoxy-8a-(methoxymethyl)-5,8-dioxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid
- IUPAC
- 2-[(1R,4aS,8aR)-7-methoxy-8a-(methoxymethyl)-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]acetic acid
Names & synonyms
104199-09-9[(1r,4as,8ar)-7-methoxy-8a-(methoxymethyl)-5,8-dioxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid1-Naphthaleneacetic acid, 1,4,4a,5,8,8a-hexahydro-7-methoxy-8a-(methoxymethyl)-5,8-dioxo-, (1alpha,4abeta,8abeta)-DTXSID90908849[7-Methoxy-8a-(methoxymethyl)-5,8-dioxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid
Database identifiers
- CAS
104199-09-9- PubChem CID
- 190771
- DTXSID
DTXSID90908849
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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