4-(2,5-DIMETHYL-PHENYL)-4-OXO-BUTYRICACID
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4-(2,5-DIMETHYL-PHENYL)-4-OXO-BUTYRICACID
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CAS No:
5394-59-2
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Formula:
C12H14O3
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Chemical Name:
4-(2,5-DIMETHYL-PHENYL)-4-OXO-BUTYRICACID
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Synonyms:
4-(2,5-Dimethylphenyl)-4-oxobutanoic acid;4-(2,5-Dimethyl-phenyl)-4-oxo-butyric acid;4-(2,5-Dimethylphenyl)-4-oxobutyric acid;4-(2,5-Xylyl)-4-oxobutanoic acid;MLS000756526;.beta.-(2,5-Dimethylbenzoyl)propionic acid;Propionic acid,5-dimethylbenzoyl)-;Benzenebutanoic acid,5-dimethyl-.gamma.-oxo-;NSC2365;Propionic acid, 3-(2,5-dimethylbenzoyl)-
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CAS No:
4-(2,5-DIMETHYL-PHENYL)-4-OXO-BUTYRICACID Basic Attributes
206.23800
206.09400
215276|2365
DTXSID70277444
2918300090
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:206.24
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:206.094294304
Monoisotopic Mass:206.094294304
Topological Polar Surface Area:54.4
Heavy Atom Count:15
Complexity:247
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
4-(2,5-DIMETHYL-PHENYL)-4-OXO-BUTYRICACID
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