CAS 17648-03-2|9,10-dihydroxy-1,2,3,4-tetrahydroanthracene-1,4-dione|9,10-dihydroxy-2,3-dihydroanthracene-1,4-dione|9,10-dihydroxy-2,3-dihydroanthracene-1,4-dione|2,3-二氢-9,10-二羟基-1,4-蒽二酮|醌茜...

General Information

Structure

Molecular Formula

C₁₄H₁₀O₄

Molecular Mass

242.2268

Exact Mass

242.0579088

Charge

InChI

InChI=1S/C14H10O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,17-18H,5-6H2

InChIKey

FVXPBEUYCCZFJT-UHFFFAOYSA-N

Canonic Smiles

O=C1CCC(=O)c2c1c(O)c1c(c2O)cccc1

Isomeric Smiles

c12c(c(c3c(c1O)cccc3)O)C(=O)CCC2=O

Calculated Properties

JChem

Acid pKa

9.356634

H Acceptors

H Donor

LogD (pH = 5.5)

2.8190355

LogD (pH = 7.4)

2.814358

Log P

2.8190954

Molar Refractivity

65.5252

Polarizability

25.79083

Polar Surface Area

74.6

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

9,10-dihydroxy-1,2,3,4-tetrahydroanthracene-1,4-dione

IUPAC Traditional name

9,10-dihydroxy-2,3-dihydroanthracene-1,4-dione

Synonyms

9,10-dihydroxy-2,3-dihydroanthracene-1,4-dione2,3-二氢-9,10-二羟基-1,4-蒽二酮醌茜隐色体2,3-Dihydro-9,10-dihydroxy-1,4-anthracenedioneLeucoquinizarin

Names and Identifiers

Registration numbers

PubChem SID

CAS Number

MDL Number

EC Number

PubChem CID

Registration numbers

Properties

Product Information

Purity

90%

Empirical Formula (Hill Notation)

C14H10O4

Classification

Derivatives & analogs of Natural Compounds

Physical Property

Melting Point

154-157 °C(lit.)

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

452653

Other Notes
Remainder quinizarin
Packaging
100 g in glass bottle

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC name

9,10-dihydroxy-1,2,3,4-tetrahydroanthracene-1,4-dione

IUPAC Traditional name

9,10-dihydroxy-2,3-dihydroanthracene-1,4-dione

Synonyms

9,10-dihydroxy-2,3-dihydroanthracene-1,4-dione2,3-二氢-9,10-二羟基-1,4-蒽二酮醌茜隐色体2,3-Dihydro-9,10-dihydroxy-1,4-anthracenedioneLeucoquinizarin

Registration numbers

PubChem SID

CAS Number

MDL Number

EC Number

PubChem CID

Properties

Product Information

Purity

90%

Empirical Formula (Hill Notation)

C14H10O4

Classification

Derivatives & analogs of Natural Compounds

Physical Property

Melting Point

154-157 °C(lit.)

Molecule Details

Sigma Aldrich

452653

Other Notes
Remainder quinizarin
Packaging
100 g in glass bottle

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Molecule

ID:119043