Basic information
- CAS
7400-10-4- Standard SMILES
COc1c(O)cc2c(c1O)C(=O)C1=C(CCCC1)C2=O- InChIKey
KZHZAOMCJXXGII-UHFFFAOYSA-N- Molecular formula
- C15H14O5
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.08412354
Names & identifiers
- Preferred name
- 5,7-Dihydroxy-6-Methoxy-1,2,3,4-Tetrahydroanthracene-9,10-Dione
- IUPAC
- 5,7-dihydroxy-6-methoxy-1,2,3,4-tetrahydroanthracene-9,10-dione
Names & synonyms
NSC592675,7-Dihydroxy-6-methoxy-1,2,3,4-tetrahydroanthracene-9,10-dioneT5O6XK6L557400-10-4UNII-T5O6XK6L55NSC 59267NSC-59267DTXSID302247929,10-ANTHRACENEDIONE, 1,2,3,4-TETRAHYDRO-5,7-DIHYDROXY-6-METHOXY-RefChem:101370DTXCID60147283SANTALIN
Show more names
CHEMBL1995638SCHEMBL29498083KZHZAOMCJXXGII-UHFFFAOYSA-NNCI60_004443
Database identifiers
- CAS
7400-10-4- PubChem CID
- 246331
- DTXSID
DTXSID30224792- ChEMBL
CHEMBL1995638- UNII
- T5O6XK6L55
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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