10-Isobutyryl dithranol
Basic information
- CAS
102768-28-5- Standard SMILES
CC(C)C(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21- InChIKey
SUJSJBSFBVHOPA-UHFFFAOYSA-N- Molecular formula
- C18H16O4
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.10485899
Overview
structure given in first source
Names & identifiers
- Preferred name
- 10-Isobutyryl dithranol
- IUPAC
- 1,8-dihydroxy-10-(2-methylpropanoyl)-10H-anthracen-9-one
- English name
- 10-isobutyryl dithranol
- Molecular formula
- C18H16O4
- Molecular weight
- 296.32
Names & synonyms
10-Isobutyryl dithranol102768-28-5DTXSID70145497RefChem:77552DTXCID90679881,8-dihydroxy-10-(2-methylpropanoyl)-10H-anthracen-9-oneSCHEMBL107825111,8-dihydroxy-10-(2-methylpropanoyl)anthracen-9(10H)-one9(10H)-Anthracenone, 1,8-dihydroxy-10-(2-methyl-1-oxopropyl)-1,8-dihydroxy-10-isobutyrylanthrone
Database identifiers
- CAS
102768-28-5- PubChem CID
- 128170
- DTXSID
DTXSID70145497
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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