Basic information
- CAS
3722-54-1- Standard SMILES
COc1cc(OC)c2c(=O)c3cc(OC)ccc3oc2c1- InChIKey
WEMBDZBXWPOBGL-UHFFFAOYSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Names & identifiers
- Preferred name
- 1,3,7-Trimethoxyxanthone
- IUPAC
- 1,3,7-trimethoxyxanthen-9-one
- English name
- 9H-Xanthen-9-one, 1,3,7-trimethoxy-
- Molecular formula
- C16H14O5
- Molecular weight
- 286.28
Names & synonyms
1,3,7-Trimethoxyxanthone3722-54-11,3,7-trimethoxyxanthen-9-oneGentisein trimethyletherXanthen-9-one, 1,3,7-trimethoxy-9H-Xanthen-9-one, 1,3,7-trimethoxy-H2SCW976EJ1,3,7-TRIMETHOXY-9H-XANTHEN-9-ONECCRIS 4035BRN 02915629H-Xanthen-9-one,1,3,7-trimethoxy-UNII-H2SCW976EJ
Show more names
5-18-04-00498 (Beilstein Handbook Reference)DTXSID00190713FG65295
Database identifiers
- CAS
3722-54-1- PubChem CID
- 145706
- DTXSID
DTXSID00190713- UNII
- H2SCW976EJ
- Nikkaji
- J167.444G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- FDA UNII
- 2 SCW976EJ · H2SCW976EJ
Chemistry & industry
Suppliers1 total
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…