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Benzocyclobutenone

Benzocyclobutenone structure

CAS No:
3469-06-5
Formula:
C8H8O
Chemical Name:
Benzocyclobutenone
Synonyms:
Benzocyclobutenone;1,2-Ethanobenzene-7-one;2-benzylcyclobutan-1-one;Benzocyclobuten-1(2H)-one;1,2-Dihydrobenzocyclobutene-1-one;Bicyclo[4.2.0]octa-1,3,5-trien-7-one;Bicyclo[4.2.0]octa-1(6),2,4-triene-7-one;1-ONBCBBenzocyclobutenone
Categories:
Organic Chemistry > Coordination Complexes

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Description

Yellow crystals

Benzocyclobutenone Basic Attributes

Molecular Weight：

118.135

Exact Mass：

118.041862

UNII：

GZC3D3H6EB

NSC Number：

146572

DSSTox ID：

DTXSID90188240

HScode：

2914299000

Characteristics

PSA：

17.1

XLogP3：

1.1

Density：

1.2±0.1 g/cm3

Boiling Point：

219.6±20.0 °C at 760 mmHg

Flash Point：

85.9±16.7 °C

Refractive Index：

1.615

Safety Information

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:118.13
XLogP3:1.1
Hydrogen Bond Acceptor Count:1
Exact Mass:118.041864811
Monoisotopic Mass:118.041864811
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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