Basic information
- CAS
13333-91-0- Standard SMILES
Cc1ccc2c(c1)Oc1cc(C)ccc1C2- InChIKey
ZMMDXPSNHBJVFL-UHFFFAOYSA-N- Molecular formula
- C15H14O
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.10446507
Names & identifiers
- Preferred name
- 3,6-dimethyl-9H-xanthene
- IUPAC
- 3,6-dimethyl-9H-xanthene
- English name
- 3,6-dimethyl-9H-xanthene
- Molecular formula
- C15H14O
- Molecular weight
- 210.27
Names & synonyms
3,6-Dimethyl-9H-xanthene13333-91-0EINECS 236-384-3GJX6QY39469H-Xanthene, 3,6-dimethyl-DTXSID20158077RefChem:91775DTXCID7080568236-384-33,6-dimethylxantheneUNII-GJX6QY3946SCHEMBL6906979
Show more names
ZMMDXPSNHBJVFL-UHFFFAOYSA-NNS00024280
Database identifiers
- CAS
13333-91-0- PubChem CID
- 83353
- DTXSID
DTXSID20158077- UNII
- GJX6QY3946
- EC Number
- 236-384-3
- Nikkaji
- J213.853K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- FDA UNII
- 6 QY3946 · GJX6QY3946
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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