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Home > Encyclopedia > 3-CYANO-7-METHOXYCOUMARIN

3-CYANO-7-METHOXYCOUMARIN

3-CYANO-7-METHOXYCOUMARIN structure

3-CYANO-7-METHOXYCOUMARIN 

structure
  • CAS No:

    13229-92-0

  • Formula:

    C11H7NO3

  • Chemical Name:

    3-CYANO-7-METHOXYCOUMARIN

  • Synonyms:

    3-CYANO-7-METHOXYCOUMARIN

3-CYANO-7-METHOXYCOUMARIN Basic Attributes

201.18

201.04300

DTXSID00350996

2932209090

Characteristics

59.3

1.67328

pale yellow

210-212 °C

2-8°C

Safety Information

UN 2811 6.1/PG 3

3

20/21/22-36/37/38

26-36/37/39

Xn

P261-P280-P301 + P310-P305 + P351 + P338

H301-H312-H315-H319-H332-H335

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, 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.

Drug Information

3-cyano-7-methoxycoumarin has known human metabolites that include 3-Cyano-7-hydroxycoumarin.

Computed Properties

Molecular Weight:201.18
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:201.042593085
Monoisotopic Mass:201.042593085
Topological Polar Surface Area:59.3
Heavy Atom Count:15
Complexity:352
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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