3-(4-Pyridinyl)-2-propenoic acid
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3-(4-Pyridinyl)-2-propenoic acid
structure -
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CAS No:
5337-79-1
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Formula:
C8H7NO2
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Chemical Name:
3-(4-Pyridinyl)-2-propenoic acid
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Synonyms:
2-Propenoic acid,3-(4-pyridinyl)-;4-Pyridineacrylic acid;3-(4-Pyridinyl)-2-propenoic acid;3-(4-Pyridyl)acrylic acid;4-Pyridylacrylic acid;3-(4-Pyridyl)-2-propenoic acid;3-(Pyridin-4-yl)-2-propenoic acid;3-(4-Pyridinyl)acrylic acid;NSC 830
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CAS No:
Characteristics
50.2
0.8
Pale yellow Crystalline Powder
1.3±0.1 g/cm3
293-295 °C
317.5°C at 760 mmHg
145.8±20.9 °C
1.625
Refrigerator (+4°C)
Safety Information
IRRITANT
36/37/38-22
26-36/37/39-22
Xi,Xn
Irritant
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, P501
H302
|Warning|H302 (50%): 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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (20%): 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|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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:160
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(4-Pyridinyl)-2-propenoic acid
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