(2E)-3-(3-Fluorophenyl)-2-propenoic acid
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(2E)-3-(3-Fluorophenyl)-2-propenoic acid
structure -
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CAS No:
20595-30-6
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Formula:
C9H7FO2
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Chemical Name:
(2E)-3-(3-Fluorophenyl)-2-propenoic acid
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Synonyms:
2-Propenoic acid,3-(3-fluorophenyl)-,(2E)-;Cinnamic acid,m-fluoro-,(E)-;2-Propenoic acid,3-(3-fluorophenyl)-,(E)-;(2E)-3-(3-Fluorophenyl)-2-propenoic acid;trans-3-Fluorocinnamic acid;(E)-m-Fluorocinnamic acid;trans-3-(3-Fluorophenyl)-2-propenoic acid;(E)-3-Fluorocinnamic acid;(E)-3-Fluorocinnamic acid;(E)-3-(3-Fluorophenyl)acrylic acid
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CAS No:
(2E)-3-(3-Fluorophenyl)-2-propenoic acid Basic Attributes
166.15
166.15
1365172
243-902-1
73988
29163990
Characteristics
37.30000
1.92350
white amorphous powder
1.3±0.1 g/cm3
98-100 °C @ Solvent: Water
289°C at 760 mmHg
124.1±20.4 °C
1.591
2-8°C
Safety Information
Ⅲ
IRRITANT
UN28116.1/PG3
3
36/37/38-22
26-36-37/39-26/37/39-24/25
Xi,Xn
P261-P301 + P310-P305 + P351 + P338
H301-H315-H319-H335
|Danger|H301 (84.78%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:166.15
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:166.04300762
Monoisotopic Mass:166.04300762
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:189
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(2E)-3-(3-Fluorophenyl)-2-propenoic acid
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