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Home > Encyclopedia > 3,9-DI-O-METHYLCOUMESTROL

3,9-DI-O-METHYLCOUMESTROL

3,9-DI-O-METHYLCOUMESTROL structure

3,9-DI-O-METHYLCOUMESTROL 

structure
  • CAS No:

    3172-99-4

  • Formula:

    C17H12O5

  • Chemical Name:

    3,9-DI-O-METHYLCOUMESTROL

  • Synonyms:

    AURORAKA-4773;7,12-dimethoxy-coumestan;COUMESTROLDIMETHYLETHER;3,9-DI-O-METHYLCOUMESTROL;3,9-Di-o-methylcoumesterol;COUMESTROLDIMETHYLETHER,FORFLUORESCE;3,9-Dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-6-one

3,9-DI-O-METHYLCOUMESTROL Basic Attributes

296.27400

296.06800

DTXSID60382935

2932999099

Characteristics

61.81000

3.70960

1.355g/cm3

197 °C

486.1ºC at 760 mmHg

247.8ºC

1.643

Safety Information

NONH for all modes of transport

3

36/37/38

26

Xi: Irritant;

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

3,9-DI-O-METHYLCOUMESTROL Use and Manufacturing

Polyketides [PK] -> Flavonoids [PK12] -> Coumestan flavonoids [PK1209]

Computed Properties

Molecular Weight:296.27
XLogP3:3.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:296.06847348
Monoisotopic Mass:296.06847348
Topological Polar Surface Area:57.9
Heavy Atom Count:22
Complexity:439
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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