4-Oxobutanoic acid
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4-Oxobutanoic acid
structure -
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CAS No:
692-29-5
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Formula:
C4H6O3
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Chemical Name:
4-Oxobutanoic acid
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Synonyms:
Butanoic acid,4-oxo-;Succinaldehydic acid;4-Oxobutanoic acid;Succinic semialdehyde;Succinic acid semialdehyde;Propanoic acid,3-formyl-;Butyraldehydic acid;β-Formylpropionic acid;3-Formylpropionic acid;γ-Oxybutyric acid;3-Formylpropanoic acid;4-Oxobutyric acid
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CAS No:
Description
Succinaldehydic acid is a catabolite of GABA.
Solid
Succinic semialdehyde is an aldehydic acid. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a 4-oxobutanoate.
Characteristics
54.37000
-0.35
Solid
1.163 g/cm3 @ Temp: 19 °C
202-203 °C @ Solvent: Methanol
142-143 °C @ Press: 13 Torr
118.4±19.1 °C
1.430
Safety Information
26
Xi
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:102.09
XLogP3:-0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:102.031694049
Monoisotopic Mass:102.031694049
Topological Polar Surface Area:54.4
Heavy Atom Count:7
Complexity:77
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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