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Home > Encyclopedia > 1,2-Benzisoxazole-3-carboxylicacid,4,5,6,7-tetrahydro-(7CI,9CI)

1,2-Benzisoxazole-3-carboxylicacid,4,5,6,7-tetrahydro-(7CI,9CI)

1,2-Benzisoxazole-3-carboxylicacid,4,5,6,7-tetrahydro-(7CI,9CI) structure

1,2-Benzisoxazole-3-carboxylicacid,4,5,6,7-tetrahydro-(7CI,9CI) 

structure
  • CAS No:

    90005-77-9

  • Formula:

    C8H9NO3

  • Chemical Name:

    1,2-Benzisoxazole-3-carboxylicacid,4,5,6,7-tetrahydro-(7CI,9CI)

  • Synonyms:

    4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid;4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxylic acid;4,5,6,7-Tetrahydro-benzo[d]isoxazole-3-carboxylic acid;1,2-benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-;4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carboxylic acid;1,2-benzisoxazole-3-carboxylicacid,4,5,6,7-tetrahydro-(7ci,9ci);ARONIS23815;SCHEMBL1809101;DTXSID60356217;HMS1687C19

1,2-Benzisoxazole-3-carboxylicacid,4,5,6,7-tetrahydro-(7CI,9CI) Basic Attributes

167.163

167.058

DTXSID60356217

2934999090

Characteristics

63.3

1.5

1.339g/cm3

376.1ºC at 760 mmHg

181.3ºC

1.56

Safety Information

IRRITANT

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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:167.16
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:167.058243149
Monoisotopic Mass:167.058243149
Topological Polar Surface Area:63.3
Heavy Atom Count:12
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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