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3-Dehydroquinicacidpotassiumsalt,(1R,3R,4S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylicacidpotassiumsalt

3-Dehydroquinicacidpotassiumsalt,(1R,3R,4S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylicacidpotassiumsalt structure

CAS No:
494211-79-9
Formula:
C7H9O6.K
Chemical Name:
3-Dehydroquinicacidpotassiumsalt,(1R,3R,4S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylicacidpotassiumsalt
Synonyms:
3-Dehydroquinic acid potassium salt, >=97.0% (TLC);5-Dehydroquinic acid potassium salt;DTXSID30635541;Potassium (1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylate

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3-Dehydroquinicacidpotassiumsalt,(1R,3R,4S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylicacidpotassiumsalt Basic Attributes

Molecular Weight：

228.24

Exact Mass：

228.004

DSSTox ID：

DTXSID30635541

Characteristics

PSA：

118

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

safety instructions：

Marks：

Precautionary statement(s)：

P264, P270, P301+P310, P321, P330, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:228.24
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:228.00361949
Monoisotopic Mass:228.00361949
Topological Polar Surface Area:118
Heavy Atom Count:14
Complexity:255
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 3-Dehydroquinicacidpotassiumsalt,(1R,3R,4S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylicacidpotassiumsalt

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-Dehydroquinicacidpotassiumsalt,(1R,3R,4S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylicacidpotassiumsalt

SDS

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