2H-Naphtho(2,3-b)pyran-5,10-dione, 3,4-dihydro-2-methyl-
Basic information
- CAS
64418-77-5- Standard SMILES
CC1CCC2=C(O1)C(=O)c1ccccc1C2=O- InChIKey
XMZISKRNPYGBKE-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- 2H-Naphtho(2,3-b)pyran-5,10-dione, 3,4-dihydro-2-methyl-
- IUPAC
- 2-methyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
Names & synonyms
alpha-Norlapachone64418-77-52H-Naphtho(2,3-b)pyran-5,10-dione, 3,4-dihydro-2-methyl-RefChem:268774CHEMBL405350DTXSID409829922-Methyl-3,4-dihydro-2H-naphtho[2,3-b]pyran-5,10-dione
Database identifiers
- CAS
64418-77-5- PubChem CID
- 149206
- DTXSID
DTXSID40982992- ChEMBL
CHEMBL405350- Nikkaji
- J1.033.039D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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