4-(1,3-dioxopropan-2-yl)-3-nitrobenzoic acid
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4-(1,3-dioxopropan-2-yl)-3-nitrobenzoic acid
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CAS No:
205985-96-2
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Formula:
C10H7NO6
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Chemical Name:
4-(1,3-dioxopropan-2-yl)-3-nitrobenzoic acid
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CAS No:
4-(1,3-dioxopropan-2-yl)-3-nitrobenzoic acid Basic Attributes
237.16600
237.02733694
DTXSID00371429
2918300090
Characteristics
117.26000
1.29760
1.496g/cm3
199-201(dec.)ºC
461ºC at 760mmHg
202.6ºC
4.61E-12mmHg at 25°C
Safety Information
Xi
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:237.17
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:237.02733694
Monoisotopic Mass:237.02733694
Topological Polar Surface Area:117
Heavy Atom Count:17
Complexity:328
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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