4-(3-NITROANILINO)-4-OXOBUT-2-ENOIC ACID
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4-(3-NITROANILINO)-4-OXOBUT-2-ENOIC ACID
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CAS No:
36847-90-2
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Formula:
C10H8N2O5
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Chemical Name:
4-(3-NITROANILINO)-4-OXOBUT-2-ENOIC ACID
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CAS No:
4-(3-NITROANILINO)-4-OXOBUT-2-ENOIC ACID Basic Attributes
236.18100
236.04332136 g/mol
DTXSID20349903
2922509090
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:236.18
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:236.04332136
Monoisotopic Mass:236.04332136
Topological Polar Surface Area:112
Heavy Atom Count:17
Complexity:347
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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