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1-(3-isothiocyanatopropanoyl)-4-methylazetidin-2-one

1-(3-isothiocyanatopropanoyl)-4-methylazetidin-2-one structure

CAS No:
50633-11-9
Formula:
C8H10N2O2S
Chemical Name:
1-(3-isothiocyanatopropanoyl)-4-methylazetidin-2-one
Synonyms:
50633-11-9;NSC218446;1-(3-isothiocyanatopropanoyl)-4-methylazetidin-2-one;DTXSID50309893;NSC-218446

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1-(3-isothiocyanatopropanoyl)-4-methylazetidin-2-one Basic Attributes

Molecular Weight：

198.24 g/mol

Exact Mass：

198.04629874 g/mol

NSC Number：

218446

DSSTox ID：

DTXSID50309893

Characteristics

PSA：

81.8 Å²

Computed Properties

Molecular Weight:198.24
XLogP3:0.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:198.04629874
Monoisotopic Mass:198.04629874
Topological Polar Surface Area:81.8
Heavy Atom Count:13
Complexity:284
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3-isothiocyanatopropanoyl)-4-methylazetidin-2-one

Basic Attributes
Characteristics
Computed Properties

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