trans-3-(3-Pyridyl)acrylic acid
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trans-3-(3-Pyridyl)acrylic acid
structure -
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CAS No:
19337-97-4
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Formula:
C8H7NO2
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Chemical Name:
trans-3-(3-Pyridyl)acrylic acid
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Synonyms:
2-Propenoic acid,3-(3-pyridinyl)-,(2E)-;3-Pyridineacrylic acid,(E)-;2-Propenoic acid,3-(3-pyridinyl)-,(E)-;(2E)-3-(3-Pyridinyl)-2-propenoic acid;trans-3-Pyridineacrylic acid;(E)-3-Pyridineacrylic acid;trans-3-(3-Pyridyl)propenoic acid;trans-3-(3-Pyridyl)acrylic acid;trans-3-(3-Pyridinyl)acrylic acid;(2E)-3-(Pyridin-3-yl)prop-2-enoic acid;(E)-3-(Pyridin-3-yl)-2-propenoic acid;(E)-3-(Pyridin-3-yl)acrylic acid;(E)-3-(Pyridin-3-yl)acrylic acid;(E)-3-(Pyridin-3-yl)prop-2-enoic acid;trans-β-(3-Pyridinyl)acrylic acid;trans-3-(3-Pyridyl)-2-propenoic acid;(E)-3-(3-Pyridyl)acrylic acid;(E)-3-(3-Pyridyl)prop-2-enoic acid
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CAS No:
Characteristics
50.2
0.8
1.261±0.06 g/cm3(Predicted)
232-234 °C
307.6±17.0 °C(Predicted)
139.8±20.9 °C
1.625
>22.4 [ug/mL]
2-8°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|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|Aggregated GHS information provided by 57 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:149.15
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:149.047678466
Monoisotopic Mass:149.047678466
Topological Polar Surface Area:50.2
Heavy Atom Count:11
Complexity:166
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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