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Home > Encyclopedia > 3-CYANO-7-HYDROXY-4-METHYLCOUMARIN

3-CYANO-7-HYDROXY-4-METHYLCOUMARIN

3-CYANO-7-HYDROXY-4-METHYLCOUMARIN structure

3-CYANO-7-HYDROXY-4-METHYLCOUMARIN 

structure
  • CAS No:

    2829-46-1

  • Formula:

    C11H7NO3

  • Chemical Name:

    3-CYANO-7-HYDROXY-4-METHYLCOUMARIN

  • Synonyms:

    3-Cyano-7-hydroxy-4-methylcoumarin;7-hydroxy-4-methyl-2-oxo-2H-chromene-3-carbonitrile;7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile;CHEMBL593427;SCHEMBL1133508;CTK4G1198;ZINC58013;DTXSID00419830;3-Cyano-4-methyl-7-hydroxycoumarin;BDBM50305319

3-CYANO-7-HYDROXY-4-METHYLCOUMARIN Basic Attributes

201.181

201.04300

DTXSID00419830

2932209090

Characteristics

70.3

1.67868

1.433g/cm3

300-304ºC

429.72ºC at 760 mmHg

213.687ºC

1.641

0mmHg at 25°C

Safety Information

3

20/21/22-36/37/38

26-36

Xn

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:201.18
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:201.042593085
Monoisotopic Mass:201.042593085
Topological Polar Surface Area:70.3
Heavy Atom Count:15
Complexity:377
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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