Product
Supplier
Encyclopedia
Inquiry
Home > Encyclopedia > 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

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

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

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

320.3587

320.36

-0

Characteristics

96.5

0.6

1.32±0.1 g/cm3(Predicted)

101-102 °C

Safety Information

P273, P501

H412

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

Scan the QR Code to Share

Complaint
Email:
Message:
Send Message