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3-Thiopheneacetic acid, 2,3-dihydro-, 1,1-dioxide

3-Thiopheneacetic acid, 2,3-dihydro-, 1,1-dioxide structure

CAS No:
17236-25-8
Formula:
C6H8O4S
Chemical Name:
3-Thiopheneacetic acid, 2,3-dihydro-, 1,1-dioxide
Synonyms:
3-Thiopheneacetic acid,2,3-dihydro-,1,1-dioxide;(1,1-Dioxido-2,3-dihydro-3-thienyl)acetic acid;(1,1-Dioxo-2,3-dihydro-1H-1λ*6*-thiophen-3-yl)-acetic acid;2-(1,1-Dioxo-2,3-dihydro-1λ6-thiophen-3-yl)acetic acid

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3-Thiopheneacetic acid, 2,3-dihydro-, 1,1-dioxide Basic Attributes

Molecular Weight：

176.19000

Exact Mass：

176.19

DSSTox ID：

DTXSID80402381

HScode：

2934999090

Characteristics

PSA：

79.82000

XLogP3：

1.10020

Density：

1.458g/cm3

Melting Point：

122-124 °C

Boiling Point：

484.1ºC at 760mmHg

Flash Point：

246.6ºC

Vapor Pressure：

1.06E-10mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:176.19
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:176.01432991
Monoisotopic Mass:176.01432991
Topological Polar Surface Area:79.8
Heavy Atom Count:11
Complexity:282
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Thiopheneacetic acid, 2,3-dihydro-, 1,1-dioxide

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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