2-methoxycarbonyl-3-nitrobenzoic acid
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2-methoxycarbonyl-3-nitrobenzoic acid
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CAS No:
6744-85-0
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Formula:
C9H7NO6
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Chemical Name:
2-methoxycarbonyl-3-nitrobenzoic acid
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Synonyms:
3-nitro-phthalic acid-2-methyl ester; 3-Nitro-phthalsaeure-2-methylester; 2-(methoxycarbonyl)-3-nitrobenzoic acid; 2-methyl 3-nitrophthalate;
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CAS No:
2-methoxycarbonyl-3-nitrobenzoic acid Basic Attributes
225.15500
225.02733694 g/mol
52151
DTXSID90287681
2918990090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:225.15
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:225.02733694
Monoisotopic Mass:225.02733694
Topological Polar Surface Area:109
Heavy Atom Count:16
Complexity:310
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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