3-Methoxyxanthone
Basic information
- CAS
3722-52-9- Standard SMILES
COc1ccc2c(=O)c3ccccc3oc2c1- InChIKey
HGWDKWJYTURSFE-UHFFFAOYSA-N- Molecular formula
- C14H10O3
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.06299418
Names & identifiers
- Preferred name
- 3-Methoxyxanthone
- IUPAC
- 3-methoxyxanthen-9-one
- English name
- 3-methoxyxanthen-9-one
- Molecular formula
- C14H10O3
- Molecular weight
- 226.23
Names & synonyms
3-Methoxyxanthone3-Methoxy-9H-xanthen-9-one3-methoxyxanthen-9-one9H-Xanthen-9-one, 3-methoxy-Xanthen-9-one, 3-methoxy-NSC 37335WW24PSE3QMUNII-WW24PSE3QMNSC-37335DTXSID40190712RefChem:94675DTXCID80113203
Show more names
3-methoxy xanthone4-methoxy-6-nitrobenzene-1,3-diamine3-Methoxy-9H-Xanthen-9-One(WXC05306)
HGWDKWJYTURSFE-UHFFFAOYSA-N3722-52-9NSC37335MFCD00604749MLS001143180CHEMBL186368KUC102600N3-Methoxy-xanthen-9-one
Database identifiers
- CAS
3722-52-9- PubChem CID
- 77309
- DTXSID
DTXSID40190712- ChEMBL
CHEMBL186368- UNII
- WW24PSE3QM
- Nikkaji
- J130.927G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 129 °C · 129 °C
- Boiling point
- 388.2 · 388.2±31.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- FDA UNII
- 24 PSE3QM · WW24PSE3QM
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
3 records
Compound notes
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