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Ethyl (3aR,7R,7aR)-3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate

Ethyl (3aR,7R,7aR)-3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate structure

CAS No:
204254-84-2
Formula:
C13H20O7S
Chemical Name:
Ethyl (3aR,7R,7aR)-3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate
Synonyms:
1,3-Benzodioxole-5-carboxylic acid,3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-,ethyl ester,(3aR,7R,7aR)-;1,3-Benzodioxole-5-carboxylic acid,3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-,ethyl ester,[3aR-(3aα,7α,7aα)]-;Ethyl (3aR,7R,7aR)-3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate;Ethyl 3,4-O-isopropylidene-5-O-methanesulfonylshikimate

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Ethyl (3aR,7R,7aR)-3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate Basic Attributes

Molecular Weight：

320.3587

Exact Mass：

320.36

EC Number：

-0

Characteristics

PSA：

96.5

XLogP3：

0.6

Density：

1.32±0.1 g/cm3(Predicted)

Melting Point：

101-102 °C

Safety Information

Precautionary statement(s)：

P273, P501

Hazard Statements：

H412

GHS Classification：

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:320.36
XLogP3:0.6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:320.09297415
Monoisotopic Mass:320.09297415
Topological Polar Surface Area:96.5
Heavy Atom Count:21
Complexity:543
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl (3aR,7R,7aR)-3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Ethyl (3aR,7R,7aR)-3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate

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