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Home > Encyclopedia > 5-(3,4-DIMETHOXYPHENYL)-5-OXOVALERICACID

5-(3,4-DIMETHOXYPHENYL)-5-OXOVALERICACID

5-(3,4-DIMETHOXYPHENYL)-5-OXOVALERICACID structure

5-(3,4-DIMETHOXYPHENYL)-5-OXOVALERICACID 

structure
  • CAS No:

    4378-55-6

  • Formula:

    C13H16O5

  • Chemical Name:

    5-(3,4-DIMETHOXYPHENYL)-5-OXOVALERICACID

  • Synonyms:

    5-(3,4-Dimethoxyphenyl)-5-oxovaleric acid;5-(3,4-dimethoxyphenyl)-5-oxopentanoic acid;SCHEMBL5850889;CTK4I7733;DTXSID00374339;ZINC2575267;MFCD00094346;AKOS009164122;MCULE-2218076538;NE50935

5-(3,4-DIMETHOXYPHENYL)-5-OXOVALERICACID Basic Attributes

252.26300

252.10000

DTXSID00374339

2918990090

Characteristics

72.83000

2.14140

1.183g/cm3

145-146ºC

451.8ºC at 760 mmHg

172.1ºC

1.522

Safety Information

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

Computed Properties

Molecular Weight:252.26
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:252.09977361
Monoisotopic Mass:252.09977361
Topological Polar Surface Area:72.8
Heavy Atom Count:18
Complexity:289
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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