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(4-fluorophenyl)propiolicacid

(4-fluorophenyl)propiolicacid structure

CAS No:
706-06-9
Formula:
C9H5FO2
Chemical Name:
(4-fluorophenyl)propiolicacid
Synonyms:
(4-fluorophenyl)propiolic acid;3-(4-Fluorophenyl)propiolic acid;3-(4-fluorophenyl)prop-2-ynoic acid;(4-Fluoro-phenyl)-propynoic acid;2-Propynoic acid, 3-(4-fluorophenyl)-

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(4-fluorophenyl)propiolicacid Basic Attributes

Molecular Weight：

164.13

Exact Mass：

164.02735756

DSSTox ID：

DTXSID60413410

Characteristics

PSA：

37.30000

XLogP3：

1.26180

Density：

1.34±0.1 g/cm3

Melting Point：

155-157 °C

Boiling Point：

295.8±32.0 °C(Predicted)

PKA：

1.94±0.10

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:164.13
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:164.02735756
Monoisotopic Mass:164.02735756
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4-fluorophenyl)propiolicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties

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