Basic information
- CAS
890094-39-0- Standard SMILES
COC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1- InChIKey
UOIAVEYZNBADLI-UHFFFAOYSA-N- Molecular formula
- C15H11NO7
- Average molar mass
- 317.25 g/mol
- Monoisotopic mass
- 317.05355169
Names & identifiers
- Preferred name
- Methyl 4-(1,3-benzodioxol-5-yloxy)-3-nitrobenzoate
- IUPAC
- methyl 4-(1,3-benzodioxol-5-yloxy)-3-nitrobenzoate
Names & synonyms
methyl 4-(1,3-benzodioxol-5-yloxy)-3-nitrobenzoate890094-39-0RefChem:355302Methyl 4-[(2H-1,3-benzodioxol-5-yl)oxy]-3-nitrobenzoatemethyl 4-(2H-benzo[d]1,3-dioxolen-5-yloxy)-3-nitrobenzoateDTXSID601229388SBB013953STK736361AKOS003388453ST4128523
Database identifiers
- CAS
890094-39-0- PubChem CID
- 5200464
- DTXSID
DTXSID601229388
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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