MW: 254.24
CAS: 481-74-3
MDL: MFCD00001208
TNP: TNP00557
CHRYSOPHANIC ACID; CHRYSOPHANOL; 3-METHYLCHRYSAZIN; 3-METHYLCHRYSAZINE; 9,10-ANTHRACENEDIONE,1,8-DIHYDROXY-3-METHYL; 1,8-DIHYDROXY-3-METHYL-9,10-ANTHRACENEDIONE; 1,8-DIHYDROXY-3-METHYLANTHRAQUINONE; RHUBARB EXTRACT
LogP: 1.47
LogS: -3.35
Acceptors: 4
Donors: 2
Rotation Bonds: 2
Chiral Centers: 0
N+O: 4
LIPINSKY: 4
Info: Chrysophanic acid 98%
IUPAC: 1,8-dihydroxy-3-methylanthracene-9,10-dione
Smiles: c12C(c3c(O)cccc3C(c1cc(cc2O)C)=O)=O
SOURCE: Occurs in cascara sagrada, senna and various species of Rumex and Rheum
Specification: Anthraquinones, Hydroquinones and Quinones; The group of Polydatin Chrysophanic acid Chemical Properties:
mp 194-198 C Water Solubility <0.1 g/100 mL at 18
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