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[3-(3-HYDROXYPROPYL)PHENYL]BORONICACID

[3-(3-HYDROXYPROPYL)PHENYL]BORONICACID structure

CAS No:
736989-98-3
Formula:
C9H13BO3
Chemical Name:
[3-(3-HYDROXYPROPYL)PHENYL]BORONICACID
Synonyms:
3-(3-Hydroxyprop-1-yl)benzeneboronic acid;3-(3-Hydroxypropyl)benzeneboronic acid, 96%;3-(3-Boronophenyl)propan-1-ol;(3-(3-Hydroxypropyl);[3-(3-HYDROXYPROPYL)PHENYL]BORONIC ACID;Boronic acid, B-[3-(3-hydroxypropyl)phenyl]-

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[3-(3-HYDROXYPROPYL)PHENYL]BORONICACID Basic Attributes

Molecular Weight：

180.01

Exact Mass：

180.0957744

DSSTox ID：

DTXSID10394881

Characteristics

PSA：

60.69000

XLogP3：

-0.70870

Density：

1.17±0.1 g/cm3

Boiling Point：

394.9±44.0 °C(Predicted)

Flash Point：

192.6ºC

PKA：

8.55±0.10

Safety Information

hazard class code：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:180.01
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:180.0957744
Monoisotopic Mass:180.0957744
Topological Polar Surface Area:60.7
Heavy Atom Count:13
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [3-(3-HYDROXYPROPYL)PHENYL]BORONICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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