Basic information
- Standard SMILES
COC(=O)CC1(O)C(C)=Cc2ccc([N+](=O)[O-])cc21- InChIKey
ICFHGQKDTJRFKN-UHFFFAOYSA-N- Molecular formula
- C13H13NO5
- Average molar mass
- 263.25 g/mol
Names & identifiers
- Preferred name
- Methyl 3-hydroxy-2-methyl-5-nitro-3-indenylacetate
- IUPAC
- methyl 2-(1-hydroxy-2-methyl-6-nitroinden-1-yl)acetate
Names & synonyms
SCHEMBL6935861ICFHGQKDTJRFKN-UHFFFAOYSA-Nmethyl 3-hydroxy-2-methyl-5-nitro-3-indenylacetatemethyl 3-hydroxy-2-methyl-5-nitro-3-indenyl-acetate
Database identifiers
- PubChem CID
- 53908697
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 427
Related reactions
11 records
Compound notes
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