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9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one

9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one structure

CAS No:
1622-55-5
Formula:
C13H10OS
Chemical Name:
9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
Synonyms:
4H-Benzo[4,5]cyclohepta[1,2-b]thiophen-4-one,9,10-dihydro-;9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one Basic Attributes

Molecular Weight：

214.28300

Exact Mass：

214.28

EC Number：

605-282-4

DSSTox ID：

DTXSID80354311

HScode：

2934999090

Characteristics

PSA：

45.31000

XLogP3：

3.07770

Density：

1.262g/cm3

Boiling Point：

125-140 °C @ Press: 0.05 Torr

Flash Point：

178.2ºC

Refractive Index：

1.644

Storage Conditions：

Refrigerator

Vapor Pressure：

1.06E-05mmHg at 25°C

Computed Properties

Molecular Weight:214.28
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Exact Mass:214.04523611
Monoisotopic Mass:214.04523611
Topological Polar Surface Area:45.3
Heavy Atom Count:15
Complexity:263
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Oxo-9,10-dihydro-4H-benzo(4,5)-cyclohepta-(1,2b)thiophene

CAS No.: 1622-55-5

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Guide of 9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one

Basic Attributes
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