Chrysophanol

Compound Structure:

Synonyms:

Chrysophanol;481-74-3;CHRYSOPHANIC ACID;3-Methylchrysazin;1,8-Dihydroxy-3-methylanthraquinone;Turkey rhubarb;1,8-dihydroxy-3-methylanthracene-9,10-dione;C.I. Natural Yellow 23;NSC 37132;1,8-Dihydroxy-3-methyl-9,10-anthracenedione

Compound ID:

NMPC-754

PubChem ID:

10208

Molecular Formula:

C15H10O4

Canonical SMILES:

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O

InChIKey:

LQGUBLBATBMXHT-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	150.17 g/mol
XLogP3-AA	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	150.068079557 g/mol
Monoisotopic Mass	150.068079557 g/mol
Topological Polar Surface Area	29.5Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

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