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ethyl 3-[3-(tert-butylamino)-2-hydroxypropoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

ethyl 3-[3-(tert-butylamino)-2-hydroxypropoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate structure

CAS No:
85462-77-7
Formula:
C17H27NO4S
Chemical Name:
ethyl 3-[3-(tert-butylamino)-2-hydroxypropoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
Synonyms:
4H-Cyclopenta(b)thiophene-2-carboxylic acid,5,6-dihydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-,ethyl ester;

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ethyl 3-[3-(tert-butylamino)-2-hydroxypropoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate Basic Attributes

Molecular Weight：

341.46600

Exact Mass：

341.16607952

Characteristics

PSA：

96.03000

XLogP3：

2.93220

Density：

1.168g/cm3

Boiling Point：

499.9ºC at 760 mmHg

Flash Point：

256.1ºC

Refractive Index：

1.547

Computed Properties

Molecular Weight:341.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:341.16607952
Monoisotopic Mass:341.16607952
Topological Polar Surface Area:96
Heavy Atom Count:23
Complexity:399
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 3-[3-(tert-butylamino)-2-hydroxypropoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

Basic Attributes
Characteristics
Computed Properties
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