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Home > Encyclopedia > 1-PYRENEHEXANOICACID

1-PYRENEHEXANOICACID

1-PYRENEHEXANOICACID structure

1-PYRENEHEXANOICACID 

structure
  • CAS No:

    90936-85-9

  • Formula:

    C22H20O2

  • Chemical Name:

    1-PYRENEHEXANOICACID

  • Synonyms:

    1-PYRENEHEXANOIC ACID;6-pyrenylhexanoic acid;6-(1-PYRENYL)CAPROIC ACID;6-(1-PYRENYL)HEXANOIC ACID;6-(1-PYRENYL)HEXANOIC ACID, FOR FLUORESC ENCE;6-(1-Pyrenyl)caproic acid, 6-(1-Pyrenyl)hexanoic acid

1-PYRENEHEXANOICACID Basic Attributes

316.39300

316.14600

DTXSID60238327

Characteristics

37.30000

5.77150

1.238g/cm3

199-201ºC(lit.)

552.2ºC at 760mmHg

448.5ºC

1.731

Safety Information

3

R36/37/38

26-36

Xi: Irritant;

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

H315

|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.

Drug Information

6-pyrenylhexanoic acid

Computed Properties

Molecular Weight:316.4
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:316.146329876
Monoisotopic Mass:316.146329876
Topological Polar Surface Area:37.3
Heavy Atom Count:24
Complexity:445
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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