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Home> Encyclopedia > Hot Product Listed +   > (+/-)-11-NOR-9-CARBOXY-DELTA9-THC
22867-74-9 structure

(+/-)-11-NOR-9-CARBOXY-DELTA9-THC

Iupac Name:7-ethyl-1H-indole
CAS No.:22867-74-9
Molecular Weight:145.205
Molecular Formula:C8H5NO2S (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C10H11N/c1-2-8-4-3-5-9-6-7-11-10(8)9/h3-7,11H,2H2,1H3
InChkey
PIIZLMYXLGYWTN-UHFFFAOYSA-N
Canonical Smiles
CCC1=CC=CC2=C1NC=C2
Properties
Melting Point
230 ºC
Boiling Point
922.2°Cat760mmHg
Vapour
0.00592mmHg at 25°C
Refractive Index
1.602-1.604
Flash Point
276.926 °C
HS Code
2933990090
Storage temp
−20°C
Safety and Handling
Safety Statements
S23;S24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:145.205g/mol
  • Molecular Formula:C8H5NO2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:3
  • Exact Mass:145.089
  • Monoisotopic Mass:145.089
  • Complexity:133
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:15.8A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByAAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAAQAAAADAjBHgQ+wPLJkACg AzRnRACCgCAxAiAI2aA4ZJgIIOLAkZGEIAhgkADIyAcQgMAOAAACAAACAAAAAAQAAAQAAAAAAAAA AA==
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