4-Methyl-δ-oxobenzenepentanoic acid
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4-Methyl-δ-oxobenzenepentanoic acid
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CAS No:
833-85-2
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Formula:
C12H14O3
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Chemical Name:
4-Methyl-δ-oxobenzenepentanoic acid
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Synonyms:
Benzenepentanoic acid,4-methyl-δ-oxo-;Butyric acid,4-p-toluoyl-;4-Methyl-δ-oxobenzenepentanoic acid;4-(p-Toluoyl)butyric acid;5-(4-Methylphenyl)-5-oxopentanoic acid;5-Oxo-5-(p-tolyl)pentanoic acid
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CAS No:
4-Methyl-δ-oxobenzenepentanoic acid Basic Attributes
206.23800
206.24
212-632-6
DTXSID90232257
2918300090
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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:206.24
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:206.094294304
Monoisotopic Mass:206.094294304
Topological Polar Surface Area:54.4
Heavy Atom Count:15
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Methyl-δ-oxobenzenepentanoic acid
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