CAS 84-60-6|anthraflavic acid|2,6-dihydroxyanthra-9,10-quinone|2,6-dihydroxy-9,10-dihydroanthracene-9,10-dione|2,6-Dihydroxyanthracene-9,10-dione|2,6-Dihydroxyanthraquinone|蒽黄酸|Anthraflavic acid|...

General Information

Structure

Molecular Formula

C₁₄H₈O₄

Molecular Mass

240.21092

Exact Mass

240.04225874

Charge

InChI

InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H

InChIKey

APAJFZPFBHMFQR-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O

Isomeric Smiles

O=C1c2cc(ccc2C(=O)c2c1ccc(c2)O)O

Calculated Properties

JChem

LogD (pH = 7.4)

1.61

LogD (pH = 5.5)

2.30

Log P

2.31

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

6.99

Polar Surface Area

74.60

Polarizability

23.55

Molar Refractivity

65.11

LOG S

-3.60

Data Source

Names and Identifiers

IUPAC Traditional name

anthraflavic acid

Synonyms

2,6-dihydroxyanthra-9,10-quinone2,6-Dihydroxyanthracene-9,10-dione2,6-Dihydroxyanthraquinone蒽黄酸Anthraflavic acid2,6-Dihydroxyanthraquinone蒽黄素2,6-二羟基蒽醌AnthraflavineAnthraflavic acidanthraflavic acidAz-F2,6-dihydroxy-9,10-anthracenedioneanthraflavic acidanthraflavin2,6-Dihydroxyanthraquinone2,6-dihydroxyanthra-9,10-quinone2,6-dihydroxy-9,10-anthraquinone

IUPAC name

2,6-dihydroxy-9,10-dihydroanthracene-9,10-dione

Names and Identifiers

Registration numbers

CAS Number

84-60-6

EC Number

201-544-3

PubChem SID

2489138616203893617487286

MDL Number

MFCD00001228