Basic information
- CAS
86295-64-9- Standard SMILES
Cc1c([N+](=O)[O-])oc2c3c(ccc12)CCCC3- InChIKey
MHAYWGATYIISHH-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- NAPHTHO(1,2-b)FURAN, 6,7,8,9-TETRAHYDRO-3-METHYL-2-NITRO-
- IUPAC
- 3-methyl-2-nitro-6,7,8,9-tetrahydrobenzo[g][1]benzofuran
Names & synonyms
NAPHTHO(1,2-b)FURAN, 6,7,8,9-TETRAHYDRO-3-METHYL-2-NITRO-86295-64-9R 7369BRN 50579892-Nitro-3-methyl-6,7,8,9-tetrahydronaphtho(1,2-b)furan6,7,8,9-Tetrahydro-3-methyl-2-nitronaphtho(1,2-b)furanCHEMBL266722DTXSID902354803-methyl-2-nitro-6,7,8,9-tetrahydronaphtho[1,2-b]furan
Database identifiers
- CAS
86295-64-9- PubChem CID
- 55488
- DTXSID
DTXSID90235480- ChEMBL
CHEMBL266722- Nikkaji
- J548.009D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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