Basic information
- CAS
38288-34-5- Standard SMILES
COC(=O)c1cc2cc3c(cc2c2ccccc12)OCO3- InChIKey
ZKIIVJXMUUGCAL-UHFFFAOYSA-N- Molecular formula
- C17H12O4
- Average molar mass
- 280.27 g/mol
- Monoisotopic mass
- 280.07355886
Names & identifiers
- Preferred name
- Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate
- IUPAC
- methyl naphtho[2,1-f][1,3]benzodioxole-5-carboxylate
Names & synonyms
38288-34-5methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylateNSC89117NCIOpen2_005454DTXSID90293388NSC-89117Methyl 9H-phenanthro[2,3-d][1,3]dioxole-5-carboxylate
Database identifiers
- CAS
38288-34-5- PubChem CID
- 259294
- DTXSID
DTXSID90293388
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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