4-Oxo-2-pentenoic acid
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4-Oxo-2-pentenoic acid
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CAS No:
4743-82-2
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Formula:
C5H6O3
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Chemical Name:
4-Oxo-2-pentenoic acid
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Synonyms:
2-Pentenoic acid,4-oxo-;4-Oxo-2-pentenoic acid;β-Acetylacrylic acid;Acetylacrylic acid;3-Acetylacrylic acid;β-Acetoacrylic acid;4-Oxopentenoic acid
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CAS No:
Safety Information
36/37/38
26-36
SB3360000
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
Computed Properties
Molecular Weight:114.10
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:114.031694049
Monoisotopic Mass:114.031694049
Topological Polar Surface Area:54.4
Heavy Atom Count:8
Complexity:135
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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