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3,4-Dihydro-2H-benzo[b]oxepin-5-one

3,4-Dihydro-2H-benzo[b]oxepin-5-one structure

CAS No:
6786-30-7
Formula:
C10H10O2
Chemical Name:
3,4-Dihydro-2H-benzo[b]oxepin-5-one
Synonyms:
3,4-Dihydrobenzo[b]oxepin-5(2H)-one;3,4-Dihydro-2H-benzo[b]oxepin-5-one;3,4-dihydro-2H-1-benzoxepin-5-one;3,4-Dihydro-1-benzoxepin-5(2H)-one;2,3,4,5-tetrahydro-1-benzoxepin-5-one;Homochromanone-5;NSC241045;SCHEMBL379626;CTK5C6802;DTXSID50311279
Categories:
Organic Chemistry > Organometalate

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3,4-Dihydro-2H-benzo[b]oxepin-5-one Basic Attributes

Molecular Weight：

162.188

Exact Mass：

162.06800

NSC Number：

241045

DSSTox ID：

DTXSID50311279

HScode：

2932999099

Characteristics

PSA：

26.3

XLogP3：

2.04190

Density：

1.145g/cm3

Boiling Point：

286.6ºC at 760 mmHg

Flash Point：

133.7ºC

Refractive Index：

1.545

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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+P340, P305+P351+P338, P312, P321, P330, 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:162.18
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Exact Mass:162.068079557
Monoisotopic Mass:162.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-Dihydro-2H-benzo[b]oxepin-5-one

Basic Attributes
Characteristics
Safety Information
Computed Properties
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3,4-Dihydro-2H-benzo[b]oxepin-5-one

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