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1,3-Butanedione,1-(2-benzothiazolyl)-(9CI)

1,3-Butanedione,1-(2-benzothiazolyl)-(9CI) structure

CAS No:
86319-88-2
Formula:
C11H9NO2S
Chemical Name:
1,3-Butanedione,1-(2-benzothiazolyl)-(9CI)
Synonyms:
2-acetoacetylbenzothiazole;1,3-BUTANEDIONE, 1-(2-BENZOTHIAZOLYL)-

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1,3-Butanedione,1-(2-benzothiazolyl)-(9CI) Basic Attributes

Molecular Weight：

219.25966

Exact Mass：

219.0354

Characteristics

PSA：

75.3

Density：

1.305±0.06 g/cm3(Predicted)

Melting Point：

100 °C(Solv: methanol (67-56-1))

Computed Properties

Molecular Weight:219.26
XLogP3:2.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:219.03539970
Monoisotopic Mass:219.03539970
Topological Polar Surface Area:75.3
Heavy Atom Count:15
Complexity:280
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-Butanedione,1-(2-benzothiazolyl)-(9CI)

Basic Attributes
Characteristics
Computed Properties

1,3-Butanedione,1-(2-benzothiazolyl)-(9CI)

SDS

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