Basic information
- CAS
40118-18-1- Standard SMILES
COC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCO2- InChIKey
WNLQVFDKMDHWGP-UHFFFAOYSA-N- Molecular formula
- C10H9NO6
- Average molar mass
- 239.18 g/mol
- Monoisotopic mass
- 239.04298701
Names & identifiers
- Preferred name
- Methyl 2-(6-nitrobenzo[d][1,3]dioxol-5-yl)acetate
- IUPAC
- methyl 2-(6-nitro-1,3-benzodioxol-5-yl)acetate
Names & synonyms
40118-18-1Methyl 2-(6-nitrobenzo[d][1,3]dioxol-5-yl)acetateSCHEMBL9834050WNLQVFDKMDHWGP-UHFFFAOYSA-NDTXSID801272040Methyl 6-nitro-1,3-benzodioxole-5-acetatemethyl 2-nitro-4,5-methylenedioxyphenylacetateMethyl (6-nitro-2H-1,3-benzodioxol-5-yl)acetateMethyl2-(6-nitrobenzo[d][1,3]dioxol-5-yl)acetate
Database identifiers
- CAS
40118-18-1- PubChem CID
- 21282102
- DTXSID
DTXSID801272040
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Related reactions
2 records
Compound notes
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