2,5-Dihydro-2,5-dioxo-α-(phenylmethyl)-1H-pyrrole-1-acetic acid
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2,5-Dihydro-2,5-dioxo-α-(phenylmethyl)-1H-pyrrole-1-acetic acid
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CAS No:
62212-16-2
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Formula:
C13H11NO4
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Chemical Name:
2,5-Dihydro-2,5-dioxo-α-(phenylmethyl)-1H-pyrrole-1-acetic acid
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Synonyms:
1H-Pyrrole-1-acetic acid,2,5-dihydro-2,5-dioxo-α-(phenylmethyl)-;1H-Pyrrole-1-acetic acid,2,5-dihydro-2,5-dioxo-α-(phenylmethyl)-,(±)-;2,5-Dihydro-2,5-dioxo-α-(phenylmethyl)-1H-pyrrole-1-acetic acid;NSC 266058;2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoic acid
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CAS No:
2,5-Dihydro-2,5-dioxo-α-(phenylmethyl)-1H-pyrrole-1-acetic acid Basic Attributes
245.23100
245.23
266059|266058
Safety Information
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:245.23
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:245.06880783
Monoisotopic Mass:245.06880783
Topological Polar Surface Area:74.7
Heavy Atom Count:18
Complexity:378
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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