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6-Benzothiazolepropiolicacid,2-methyl-(7CI,8CI)

6-Benzothiazolepropiolicacid,2-methyl-(7CI,8CI) structure

CAS No:
3027-99-4
Formula:
C11H7NO2S
Chemical Name:
6-Benzothiazolepropiolicacid,2-methyl-(7CI,8CI)
Synonyms:
3-(2-Methyl-1,3-benzothiazol-6-yl)-2-propynoic acid;ZINC45238171;2-Propynoic acid, 3-(2-methyl-6-benzothiazolyl)-

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6-Benzothiazolepropiolicacid,2-methyl-(7CI,8CI) Basic Attributes

Molecular Weight：

217.24378

Exact Mass：

217.02

Characteristics

PSA：

78.4

XLogP3：

2.9

Density：

1.44±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:217.25
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:217.01974964
Monoisotopic Mass:217.01974964
Topological Polar Surface Area:78.4
Heavy Atom Count:15
Complexity:330
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-Benzothiazolepropiolicacid,2-methyl-(7CI,8CI)

Basic Attributes
Characteristics
Computed Properties

6-Benzothiazolepropiolicacid,2-methyl-(7CI,8CI)

SDS

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