Basic information
- CAS
66223-16-3- Standard SMILES
CC1CC2(CC(CNc3ccccc3)OC2=O)C(=O)O1- InChIKey
BOTKZCHEQHPNMA-UHFFFAOYSA-N- Molecular formula
- C15H17NO4
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.11575802
Names & identifiers
- Preferred name
- 2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3-methyl-8-((phenylamino)methyl)-
- IUPAC
- 3-(anilinomethyl)-8-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
Names & synonyms
66223-16-33-Methyl-8-((phenylamino)methyl)-2,7-dioxaspiro(4.4)nonane-1,6-dione2,7-DIOXASPIRO(4.4)NONANE-1,6-DIONE, 3-METHYL-8-((PHENYLAMINO)METHYL)-RefChem:248839DTXSID509847203-(anilinomethyl)-8-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
Database identifiers
- CAS
66223-16-3- PubChem CID
- 47872
- DTXSID
DTXSID50984720
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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