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But-1-ene-4-boronicacid

But-1-ene-4-boronicacid structure

CAS No:
379669-72-4
Formula:
C4H9BO2
Chemical Name:
But-1-ene-4-boronicacid
Synonyms:
But-1-ene-4-boronicacid;But-3-enylboronicacid;3-Butenyl-1-boronic acid;3-Butenylboronic acid
Categories:
Organic Chemistry > Coordination Complexes

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But-1-ene-4-boronicacid Basic Attributes

Molecular Weight：

99.92

Exact Mass：

100.07000

DSSTox ID：

DTXSID90609980

HScode：

2931900090

Characteristics

PSA：

40.46000

XLogP3：

0.03530

Density：

0.937±0.06 g/cm3(Predicted)

Melting Point：

84-90 °C

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:99.93
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:100.0695597
Monoisotopic Mass:100.0695597
Topological Polar Surface Area:40.5
Heavy Atom Count:7
Complexity:53.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes