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Home > Encyclopedia > dimethyl 2-[(4-nitrophenyl)methyl]propanedioate

dimethyl 2-[(4-nitrophenyl)methyl]propanedioate

dimethyl 2-[(4-nitrophenyl)methyl]propanedioate structure

dimethyl 2-[(4-nitrophenyl)methyl]propanedioate 

structure
  • CAS No:

    124090-10-4

  • Formula:

    C12H13NO6

  • Chemical Name:

    dimethyl 2-[(4-nitrophenyl)methyl]propanedioate

  • Synonyms:

    dimethyl 2-(4'-nitrobenzyl)malonate; (4-nitro-benzyl)-malonic acid dimethyl ester; Propanedioic acid,2-[(4-nitrophenyl)methyl]-,1,3-dimethyl ester; dimethyl (4-nitrobenzyl)propanedioate; DIMETHYL (4-NITROBENZYL)MALONATE; (4-Nitro-benzyl)-malonsaeure-dimethylester; 2-Carbomethoxy-3-(4-nitrophenyl)propanoic acid dimethyl ester;Expand

dimethyl 2-[(4-nitrophenyl)methyl]propanedioate Basic Attributes

267.23500

267.07428713

DTXSID30400039

Characteristics

98.42000

1.62270

84-85ºC

Safety Information

R36/37/38

26-37/39

Xi

|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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:267.23
XLogP3:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:267.07428713
Monoisotopic Mass:267.07428713
Topological Polar Surface Area:98.4
Heavy Atom Count:19
Complexity:327
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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