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(1α,4α)-Bicyclo[2.2.2]octane-2,5-dione

(1α,4α)-Bicyclo[2.2.2]octane-2,5-dione structure

CAS No:
177931-43-0
Formula:
C8H10O2
Chemical Name:
(1α,4α)-Bicyclo[2.2.2]octane-2,5-dione
Synonyms:
(1S,4S)-bicyclo[2.2.2]octane-2,5-dione;CTK8C6362;DTXSID80435558;ZINC21192106;J-011332;(1S,4S)-Bicyclo[2.2.2]octane-2,5-dione, 95%

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(1α,4α)-Bicyclo[2.2.2]octane-2,5-dione Basic Attributes

Molecular Weight：

138.166

Exact Mass：

138.06800

DSSTox ID：

DTXSID80435558

Characteristics

PSA：

34.14000

XLogP3：

0.94460

Density：

1.191±0.06 g/cm3(Predicted)

Melting Point：

212-213 °C

Boiling Point：

268.3±33.0 °C(Predicted)

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

22-37/38-41

safety instructions：

26-39

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:138.16
XLogP3:-0.1
Hydrogen Bond Acceptor Count:2
Exact Mass:138.068079557
Monoisotopic Mass:138.068079557
Topological Polar Surface Area:34.1
Heavy Atom Count:10
Complexity:173
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1α,4α)-Bicyclo[2.2.2]octane-2,5-dione

Basic Attributes
Characteristics
Safety Information
Computed Properties

(1α,4α)-Bicyclo[2.2.2]octane-2,5-dione

SDS

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