8-Methyl-3,4-dihydro-2H-1,5-dioxa-4-aza-anthracen-6-one
Basic information
- CAS
424817-15-2- Standard SMILES
Cc1cc(=O)oc2cc3c(cc12)OCCN3- InChIKey
PLHFTXHOILCZKR-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- 8-Methyl-3,4-dihydro-2H-1,5-dioxa-4-aza-anthracen-6-one
- IUPAC
- 9-methyl-3,4-dihydro-2H-pyrano[2,3-g][1,4]benzoxazin-7-one
- English name
- 8-Methyl-3,4-dihydro-2H-1,5-dioxa-4-aza-anthracen-6-one
- Molecular formula
- C12H11NO3
- Molecular weight
- 217.22
Names & synonyms
424817-15-28-Methyl-3,4-dihydro-2H-1,5-dioxa-4-aza-anthracen-6-one9-Methyl-3,4-dihydrochromeno[6,7-b][1,4]oxazin-7(2H)-one9-methyl-3,4-dihydro-2H-pyrano[2,3-g][1,4]benzoxazin-7-oneMLS000110016SMR000105949CBMicro_008267Oprea1_267663Oprea1_815686cid_788071CHEMBL1427890BDBM30997
Show more names
Pyrano[2,3-g]-1,4-benzoxazin-7(2H)-one, 3,4-dihydro-9-methyl-
DTXSID50354969HMS1674I06HMS2333P18SMSF0014509AKOS000519755CB10843BIM-0008201.P001ST50011972
Database identifiers
- CAS
424817-15-2- PubChem CID
- 788071
- DTXSID
DTXSID50354969- ChEMBL
CHEMBL1427890
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 415.3 · 415.3±45.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 4.2 · 4.20±0.40(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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