Structure

Shikalkin

CAS
54952-43-1
Catalog Number
ACM54952431
Category
Other Products
Molecular Weight
288.3
Molecular Formula
C16H16O5

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Specification

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
Hazard Statements
Xn,N
Safety Description
61
Supplemental Hazard Statements
H302-H400
Symbol
GHS07,GHS09
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.

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