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methyl3-methylbenzothiophene-2-carboxylate

methyl3-methylbenzothiophene-2-carboxylate structure

CAS No:
3133-81-1
Formula:
C11H10O2S
Chemical Name:
methyl3-methylbenzothiophene-2-carboxylate
Synonyms:
methyl 3-methylbenzo[b]thiophene-2-carboxylate;methyl 3-methylbenzothiophene-2-carboxylate;3-methyl-benzo[b]thiophene-2-carboxylic acid methyl ester;methyl 3-methyl-1-benzothiophene-2-carboxylate;NSC108971;ACMC-1CQNL;SCHEMBL1031488;3-Methylbenzo[b]thiophene-2-carboxylic acid methyl ester;CTK4G6882;DTXSID20296367

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methyl3-methylbenzothiophene-2-carboxylate Basic Attributes

Molecular Weight：

206.26100

Exact Mass：

206.04000

NSC Number：

108971

DSSTox ID：

DTXSID20296367

HScode：

2934999090

Characteristics

PSA：

54.54000

XLogP3：

2.99630

Density：

1.233g/cm3

Melting Point：

102-105ºC

Boiling Point：

313ºC at 760 mmHg

Flash Point：

143.1ºC

Refractive Index：

1.624

Computed Properties

Molecular Weight:206.26
XLogP3:3.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:206.04015073
Monoisotopic Mass:206.04015073
Topological Polar Surface Area:54.5
Heavy Atom Count:14
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl3-methylbenzothiophene-2-carboxylate

Basic Attributes
Characteristics
Computed Properties

methyl3-methylbenzothiophene-2-carboxylate

SDS

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