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3,1-benzoxathiin-4-one

3,1-benzoxathiin-4-one structure

CAS No:
5651-33-2
Formula:
C8H6O2S
Chemical Name:
3,1-benzoxathiin-4-one
Synonyms:
4H-3,1-Benzoxathiin-4-one;5651-33-2;NSC58104;3,1-benzoxathian-4-one;UNII-8T473X1HA4;8T473X1HA4;3,1-benzoxathiin-4-one;NSC 58104;4H-3,1-Benzooxathiin-4-one;3-Oxa-1-thia-naphthalen-4-one;DTXSID00205053;ZINC4726988;NSC-58104

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3,1-benzoxathiin-4-one Basic Attributes

Molecular Weight：

166.20 g/mol

Exact Mass：

166.00885060 g/mol

UNII：

8T473X1HA4

NSC Number：

58104

DSSTox ID：

DTXSID00205053

HScode：

2934999090

Characteristics

PSA：

51.6 Å²

XLogP3：

1.9066

Density：

1.348g/cm3

Boiling Point：

350.1ºC at 760 mmHg

Flash Point：

185ºC

Refractive Index：

1.627

Computed Properties

Molecular Weight:166.20
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Exact Mass:166.00885060
Monoisotopic Mass:166.00885060
Topological Polar Surface Area:51.6
Heavy Atom Count:11
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

79894-32-9

5894-65-5

35159-95-6

79054-71-0

79894-26-1

5894-65-5

35159-95-6

79054-71-0

79894-32-9

63045-46-5

Hot Searches: 2-bromo-2-methylbutane; acid name of hi; oakwood chemicals; sif4 lewis structure; formula for ammonia sulfate; barium bromide

Guide of 3,1-benzoxathiin-4-one

Basic Attributes
Characteristics
Computed Properties
Synthesis Route

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