2-Hydroxy-1-methoxyanthraquinone

CAT: 0607-BA1554-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1554-1Size:1 mg

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CAS Number

6170-06-5

Form

A solid

Molecular Formula

C15H10O4

Molecular Weight

254.24

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Alizarin 1-methyl ether

2-Hydroxy-1-methoxyanthracene-9,10-dione has been reported in Rubia wallichiana, Damnacanthus major, and other organisms with data available.

CAS Number	6170-06-5
PubChem CID	80309
IUPAC Name	2-hydroxy-1-methoxyanthracene-9,10-dione
Molecular Formula	C15H10O4
Molecular Weight	254.24
XLogP	2.5
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	392

SMILES

COC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C15H10O4/c1-19-15-11(16)7-6-10-12(15)14(18)9-5-3-2-4-8(9)13(10)17/h2-7,16H,1H3

InChIKey

VRGZEPNGEFBVIZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6170-06-5

CID: 80309

Formula: C15H10O4

MW: 254.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.24
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	254.05790880
Monoisotopic Mass	254.05790880
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	392
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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