δ-Oxobenzenepentanoic acid
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δ-Oxobenzenepentanoic acid
structure -
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CAS No:
1501-05-9
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Formula:
C11H12O3
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Chemical Name:
δ-Oxobenzenepentanoic acid
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Synonyms:
Benzenepentanoic acid,δ-oxo-;Butyric acid,4-benzoyl-;δ-Oxobenzenepentanoic acid;4-Benzoylbutyric acid;γ-Benzoylbutyric acid;5-Oxo-5-phenylpentanoic acid;5-Phenyl-5-oxopentanoic acid;5-Oxo-5-phenylvaleric acid;4-Benzoylbutanoic acid;5-Phenyl-5-oxovaleric acid;NSC 10139
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CAS No:
δ-Oxobenzenepentanoic acid Basic Attributes
192.21
192.21
641947
216-113-5
595CFD21KA
10139
DTXSID50164469
2918300090
Characteristics
54.4
1.7
Off-white to light beige Crystalline Powder
1.2±0.1 g/cm3
126.5-128 °C
380.8°C at 760 mmHg
198.3±19.7 °C
1.539
Insoluble in water.
Safety Information
NONH for all modes of transport
3
36/37/38
26-36-37/39
Xi
P261-P305 + P351 + P338
H315-H319-H335
|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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:192.21
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:192.078644241
Monoisotopic Mass:192.078644241
Topological Polar Surface Area:54.4
Heavy Atom Count:14
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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