Shikalkin

• Catalog Number: ACM54952431
• Product Name: Shikalkin
• CAS: 54952-43-1
• Category: Heterocyclic Organic Compound
• Synonyms: SHIKALKIN;5,8-Dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione;1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)- (9ci);Arnebin-4;Nsc 291845;shiconin
• Molecular Weight: 288.3
• Molecular Formula: C₁₆H₁₆O₅
• Hazard Statements: Xn,N
• Safety Description: 61
• Supplemental Hazard Statements: H302-H400
• Symbol: GHS07,GHS09

Custom Q&A

What is the molecular formula of Shikalkin?

The molecular formula of Shikalkin is C16H16O5.

What is the molecular weight of Shikalkin?

The molecular weight of Shikalkin is 288.29 g/mol.

What is the IUPAC name of Shikalkin?

The IUPAC name of Shikalkin is 5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione.

What is the InChI of Shikalkin?

The InChI of Shikalkin is InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3.

What is the InChIKey of Shikalkin?

The InChIKey of Shikalkin is NEZONWMXZKDMKF-UHFFFAOYSA-N.

What is the canonical SMILES of Shikalkin?

The canonical SMILES of Shikalkin is CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C.

What is the CAS number of Shikalkin?

The CAS number of Shikalkin is 54952-43-1.

What is the ChEMBL ID of Shikalkin?

The ChEMBL ID of Shikalkin is CHEMBL29285.

What is the XLogP3-AA value of Shikalkin?

The XLogP3-AA value of Shikalkin is 3.

What is the topological polar surface area of Shikalkin?

The topological polar surface area of Shikalkin is 94.8 ?2.