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Home > Encyclopedia > METHYL4-(CYANOACETYL)BENZOATE

METHYL4-(CYANOACETYL)BENZOATE

METHYL4-(CYANOACETYL)BENZOATE structure

METHYL4-(CYANOACETYL)BENZOATE 

structure
  • CAS No:

    69316-08-1

  • Formula:

    C11H9NO3

  • Chemical Name:

    METHYL4-(CYANOACETYL)BENZOATE

  • Synonyms:

    3-Oxo-3-[4-(methoxycarbonyl)phenyl]propanenitrile;p-(Cyanoacetyl)benzoic acid methyl ester;Methyl 4-(cyanoacetyl)benzoate,98%;METHYL 4-(2-CYANOACETYL)BENZOATE;METHYL 4-(CYANOACETYL)BENZOATE;METHYL-P-(CYANO-ACETYL)BENZOATE;4-METHOXYCARBONYLBENZOYLACETONITRILE;4-(Cyanoacetyl)benzoicacidmethylester

METHYL4-(CYANOACETYL)BENZOATE Basic Attributes

203.19

203.058243149 g/mol

DTXSID00352910

Characteristics

67.2 Ų

1.2621

171-173 °C (lit.)

341.49°C (rough estimate)

1.4950 (estimate)

7.01±0.10

Safety Information

3

36/37/38

26-36

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:203.19
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:203.058243149
Monoisotopic Mass:203.058243149
Topological Polar Surface Area:67.2
Heavy Atom Count:15
Complexity:294
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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