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(+)-Estrone 3-methyl ether

(+)-Estrone 3-methyl ether structure

CAS No:
1624-62-0
Formula:
C19H24O2
Chemical Name:
(+)-Estrone 3-methyl ether
Synonyms:
Estra-1,3,5(10)-trien-17-one,3-methoxy-;3-Methoxyestra-1,3,5(10)-trien-17-one;Estrone 3-methyl ether;Estrone methyl ether;3-Methoxyestra-1,3,5-trien-17-one;3-Methoxyoestra-1,3,5(10)-trien-17-one;Oestrone methyl ether;3-Methoxyestrone;3-O-Methylestrone;Estrone O-methyl ether;(+)-Estrone 3-methyl ether;3-Methoxyestra-1,3,5(10)triene-17-one;NSC 88911;(+)-Estrone methyl ether;Mestrone;(8R,9S,13S,14S)-3-Methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one;30519-93-8;60727-55-1;1207541-74-9;1221293-86-2
Categories:
Organic Chemistry > Ketones

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(+)-Estrone 3-methyl ether Basic Attributes

Molecular Weight：

284.39300

Exact Mass：

284.39

EC Number：

216-613-3

UNII：

4SMZ4A51IJ

NSC Number：

88911

DSSTox ID：

DTXSID40167368

HScode：

2914509090

Characteristics

PSA：

26.30000

XLogP3：

4.12040

Appearance：

White crystalline powder

Density：

1.103 g/cm3

Melting Point：

164-165 °C

Boiling Point：

427.4ºC at 760 mmHg

Flash Point：

183.6ºC

Refractive Index：

1.556

Vapor Pressure：

1.65E-07mmHg at 25°C

Safety Information

hazard class code：

R20/21/22; R40

safety instructions：

S22-S36

Marks：

GHS Classification：

|Warning|H302 (93.02%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

estrone 3-methyl ether

Computed Properties

Molecular Weight:284.4
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:284.177630004
Monoisotopic Mass:284.177630004
Topological Polar Surface Area:26.3
Heavy Atom Count:21
Complexity:431
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1624-62-0

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