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3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE

3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE structure

CAS No:
29107-30-0
Formula:
C11H12O3S
Chemical Name:
3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE
Synonyms:
3,3-bis(hydroxymethyl)thiochroman-4-one;3,3-bis(hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one;3,3-bis(hydroxymethyl)-2H-thiochromen-4-one;Bionet2_001543;Oprea1_560189;SCHEMBL2155997;CTK4G2731;KS-00001XCN;DTXSID70377256;HMS1368H02

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3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE Basic Attributes

Molecular Weight：

224.28

Exact Mass：

224.05100

DSSTox ID：

DTXSID70377256

HScode：

2932999099

Characteristics

PSA：

82.8

XLogP3：

0.94600

Density：

1.336g/cm3

Melting Point：

142-145°C

Boiling Point：

428.4ºC at 760mmHg

Flash Point：

212.9ºC

Refractive Index：

1.621

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:224.28
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:224.05071541
Monoisotopic Mass:224.05071541
Topological Polar Surface Area:82.8
Heavy Atom Count:15
Complexity:250
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE

SDS

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