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Methyl 3-hydroxybenzo[b]thiophene-2-carboxylate

Methyl 3-hydroxybenzo[b]thiophene-2-carboxylate structure

CAS No:
13134-76-4
Formula:
C10H8O3S
Chemical Name:
Methyl 3-hydroxybenzo[b]thiophene-2-carboxylate
Synonyms:
Benzo[b]thiophene-2-carboxylic acid,3-hydroxy-,methyl ester;Methyl 3-hydroxybenzo[b]thiophene-2-carboxylate;3-Hydroxybenzo[b]thiophene-2-carboxylic acid methyl ester

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Methyl 3-hydroxybenzo[b]thiophene-2-carboxylate Basic Attributes

Molecular Weight：

208.23400

Exact Mass：

208.23

EC Number：

236-066-4

DSSTox ID：

DTXSID60157009

HScode：

2934999090

Characteristics

PSA：

74.77000

XLogP3：

2.39350

Density：

1.448g/cm3

Melting Point：

106-108 °C @ Solvent: Methanol

Boiling Point：

311.9ºC at 760mmHg

Flash Point：

142.4ºC

Refractive Index：

1.678

Vapor Pressure：

0.000234mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36/37/39

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:208.24
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:208.01941529
Monoisotopic Mass:208.01941529
Topological Polar Surface Area:74.8
Heavy Atom Count:14
Complexity:231
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl 3-hydroxybenzo[b]thiophene-2-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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