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9,11-Didehydroestriol

9,11-Didehydroestriol structure

CAS No:
246021-20-5
Formula:
C18H22O3
Chemical Name:
9,11-Didehydroestriol
Synonyms:
9 11-DIDEHYDROESTRIOL;estra-1,3,5,9(11)-tetraene-3,16α,17β-triol;Estra-1,3,5,9(11)-tetraene-3,16a,17b-triol;Conjugated Estrogens EP Impurity A
Categories:
Analytical Chemistry > Standard

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9,11-Didehydroestriol Basic Attributes

Molecular Weight：

286.37

Exact Mass：

286.15700

UNII：

2FEM8A2HAS

DSSTox ID：

DTXSID50432933

HScode：

2937230000

Characteristics

PSA：

60.69000

XLogP3：

2.63870

Density：

1.314g/cm3

Boiling Point：

491.918ºC at 760 mmHg

Flash Point：

234.135ºC

Refractive Index：

1.66

Vapor Pressure：

0mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

62-63

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H361

GHS Classification：

|Warning|H361 (97.44%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]|P201, P202, P281, P308+P313, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:286.4
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Exact Mass:286.15689456
Monoisotopic Mass:286.15689456
Topological Polar Surface Area:60.7
Heavy Atom Count:21
Complexity:459
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes