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5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-2-CARBOXYLICACID

5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-2-CARBOXYLICACID structure

CAS No:
40133-06-0
Formula:
C8H8O2S
Chemical Name:
5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-2-CARBOXYLICACID
Synonyms:
5,6-Dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid;4H,5H,6H-cyclopenta[b]thiophene-2-carboxylic acid;CHEMBL2324852;4,5,6-trihydrocyclopenta[2,1-b]thiophene-2-carboxylic acid;Enamine_001870;4-N-BUTOXYBENZYLBROMIDE;SCHEMBL2954334;CTK1D7927;KS-00001ADM;DTXSID30354381
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-2-CARBOXYLICACID Basic Attributes

Molecular Weight：

168.21

Exact Mass：

168.02500

DSSTox ID：

DTXSID30354381

HScode：

2934999090

Characteristics

PSA：

65.5

XLogP3：

1.93500

Density：

1.395g/cm3

Melting Point：

200-202

Boiling Point：

347.7ºC at 760mmHg

Flash Point：

164.1ºC

Refractive Index：

1.645

Safety Information

Hazard category：

IRRITANT

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:168.21
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:168.02450067
Monoisotopic Mass:168.02450067
Topological Polar Surface Area:65.5
Heavy Atom Count:11
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-2-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-2-CARBOXYLICACID

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