Vanilpyruvic acid
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Vanilpyruvic acid
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CAS No:
1081-71-6
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Formula:
C10H10O5
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Chemical Name:
Vanilpyruvic acid
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Synonyms:
Benzenepropanoic acid,4-hydroxy-3-methoxy-α-oxo-;Pyruvic acid,(4-hydroxy-3-methoxyphenyl)-;4-Hydroxy-3-methoxy-α-oxobenzenepropanoic acid;Guaiacylpyruvic acid;4-Hydroxy-3-methoxyphenylpyruvic acid;3-Methoxy-4-hydroxyphenylpyruvic acid;Vanilpyruvic acid;Vanylpyruvic acid;NSC 302091
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CAS No:
Description
Vanilpyruvic acid is a catecholamine metabolite and precursor to vanillactic acid.
Solid
Vanilpyruvic acid is a 2-oxo monocarboxylic acid. It derives from a pyruvic acid.
Characteristics
83.83000
0.59700
Solid
1.374g/cm3
161 °C
402ºC at 760mmHg
162.1ºC
1.575
3.49E-07mmHg at 25°C
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:210.18
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:210.05282342
Monoisotopic Mass:210.05282342
Topological Polar Surface Area:83.8
Heavy Atom Count:15
Complexity:250
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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