Basic information
- CAS
1214-20-6- Standard SMILES
COc1ccc2oc3ccccc3c(=O)c2c1- InChIKey
DVZCOQQFPCMIPO-UHFFFAOYSA-N- Molecular formula
- C14H10O3
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.06299418
Overview
2-Methoxyxanthone is a member of xanthones.
Names & identifiers
- Preferred name
- 2-Methoxyxanthone
- IUPAC
- 2-methoxyxanthen-9-one
- English name
- 2-Methoxy-9H-xanthen-9-one
- Molecular formula
- C14H10O3
- Molecular weight
- 226.23
Names & synonyms
2-Methoxyxanthone1214-20-69H-Xanthen-9-one, 2-methoxy-DTXSID10153258RefChem:1063608DTXCID90757492-Methoxyxanthen-9-one2-Methoxy-9H-xanthen-9-one9H-Xanthen-9-one,2-methoxy-2-Methoxy-xanthen-9-oneMLS001143195CHEMBL186609
Show more names
2-methoxy-9H-oxyanthracene-9-one
KUC102603NMFCD01312686SMR000459198Xanthen-9-one, 2-methoxy-KBio3_0022617-methoxyxanthoneSpectrum_000120Spectrum2_000425
Database identifiers
- CAS
1214-20-6- PubChem CID
- 71034
- DTXSID
DTXSID10153258- ChEMBL
CHEMBL186609- ChEBI
CHEBI:169168- Nikkaji
- J130.929C
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
Experimental & physicochemical properties
PolymersPolycyclic aromatic compound
Melting Point134 °C
Physical DescriptionSolid
Collision Cross Section
142.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
142.16 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 131 °C · 131 °C
- Boiling point
- 388.2 · 388.2±31.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C14H10O3/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3
- InChIKey
- DVZCOQQFPCMIPO-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC=C2)OC2=C1C=C(OC)C=C2
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
Safety data
- risk_code
- 22
- hazard_code
- Xn
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers8 total
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
济南景源生物科技有限公司18678301331 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Additional notes
DefinitionChEBI: 2-Methoxyxanthone is a member of xanthones.
Related reactions
3 records
Compound notes
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