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2-Mercaptobenzooxazole-6-carboxylicacidmethylester

2-Mercaptobenzooxazole-6-carboxylicacidmethylester structure

CAS No:
72752-81-9
Formula:
C9H7NO3S
Chemical Name:
2-Mercaptobenzooxazole-6-carboxylicacidmethylester
Synonyms:
Methyl 2-sulfanyl-1,3-benzoxazole-6-carboxylate;methyl 2-mercapto-1,3-benzoxazole-6-carboxylate;2-Mercaptobenzooxazole-6-carboxylic acid methyl ester;Methyl 2-mercaptobenzo[d]oxazole-6-carboxylate;6-Benzoxazolecarboxylic acid, 2,3-dihydro-2-thioxo-, methyl ester

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2-Mercaptobenzooxazole-6-carboxylicacidmethylester Basic Attributes

Molecular Weight：

209.22

Exact Mass：

209.01466426

EC Number：

1312995-182-4

DSSTox ID：

DTXSID10672151

HScode：

2934999090

Characteristics

PSA：

91.13000

XLogP3：

1.90310

Density：

1.46±0.1 g/cm3

Boiling Point：

339.9±44.0 °C(Predicted)

Refractive Index：

1.645

PKA：

10.45±0.20

Computed Properties

Molecular Weight:209.22
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:209.01466426
Monoisotopic Mass:209.01466426
Topological Polar Surface Area:79.6
Heavy Atom Count:14
Complexity:269
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Mercaptobenzooxazole-6-carboxylicacidmethylester

Basic Attributes
Characteristics
Computed Properties

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