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6-KETOESTRADIOL

6-KETOESTRADIOL structure

CAS No:
571-92-6
Formula:
C18H22O3
Chemical Name:
6-KETOESTRADIOL
Synonyms:
Nsc147966;6-Oxoestradiol;6-KETOESTRADIOL;Estradiol-6-one;oestradiol-6-one;6-Oxo-17β-estradiol;BETA-ESTRADIOL-6-ONE;6-Keto17β-Estradiol;6-KETO-17-BETA-ESTRADIOL;EstradiolRelatedCoMpoundC
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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6-KETOESTRADIOL Basic Attributes

Molecular Weight：

286.371

Exact Mass：

286.156891

HScode：

2937230000

Characteristics

PSA：

57.5

XLogP3：

3.30

Density：

1.3±0.1 g/cm3

Melting Point：

281-283ºC

Boiling Point：

478.9±45.0 °C at 760 mmHg

Flash Point：

257.5±25.2 °C

Refractive Index：

1.612

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Precautionary statement(s)：

P201, P202, P260, P261, P263, P264, P270, P281, P285, P301+P312, P304+P341, P308+P313, P330, P342+P311, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P261, P263, P264, P270, P281, P285, P301+P312, P304+P341, P308+P313, P330, P342+P311, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

6-ketoestradiol

6-KETOESTRADIOL Use and Manufacturing

A metabolite of Estradiol (E888000).

Computed Properties

Molecular Weight:286.4
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:286.15689456
Monoisotopic Mass:286.15689456
Topological Polar Surface Area:57.5
Heavy Atom Count:21
Complexity:448
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes