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2-[2-[(1-Methylethyl)thio]ethyl] 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate

2-[2-[(1-Methylethyl)thio]ethyl] 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate structure

CAS No:
57105-54-1
Formula:
C13H20O5S
Chemical Name:
2-[2-[(1-Methylethyl)thio]ethyl] 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
Synonyms:
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid,2-[2-[(1-methylethyl)thio]ethyl] ester;7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid,mono[2-[(1-methylethyl)thio]ethyl] ester;2-[2-[(1-Methylethyl)thio]ethyl] 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate;NSC 202748

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2-[2-[(1-Methylethyl)thio]ethyl] 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate Basic Attributes

Molecular Weight：

288.36000

Exact Mass：

288.36

NSC Number：

202748

DSSTox ID：

DTXSID00308230

Characteristics

PSA：

98.13000

XLogP3：

1.54940

Density：

1.273g/cm3

Boiling Point：

448.1ºC at 760 mmHg

Flash Point：

224.8ºC

Refractive Index：

1.538

Computed Properties

Molecular Weight:288.36
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:288.10314491
Monoisotopic Mass:288.10314491
Topological Polar Surface Area:98.1
Heavy Atom Count:19
Complexity:357
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[2-[(1-Methylethyl)thio]ethyl] 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate

Basic Attributes
Characteristics
Computed Properties
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