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Home> Hot Product Listed 4   > 4H-Pyrano[3,2-b]pyridin-4-one,2-(4-pyridinyl)-
5747-92-2 structure

4H-Pyrano[3,2-b]pyridin-4-one,2-(4-pyridinyl)-

CAS No.:5747-92-2
Molecular Weight:233.30616
Molecular Formula:C17H16O3S (isomer)
Names and Identifiers
Synonyms

2-(4-Pyridinyl)-4H-pyrano(3,2-b)pyridin-4-one 2-pyridin-4-ylpyrano[3,2-b]pyridin-4-one 4H-Pyrano(3,2-b)pyridin-4-one, 2-(4-pyridinyl)- AC1MIMHG LS-127515

Inchi
InChI=1/C14H19NO2/c1-2-17-14(16)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
Canonical Smiles
CCOC(=O)C1CCN(C1)CC2=CC=CC=C2
Properties
Density
1.576
Boiling Point
956.77°C at 760 mmHg
Refractive Index
1.542
Flash Point
°C
HS Code
2933990090
Safety and Handling
Risk Statements
36/37/38
Safety Statements
26-36/37/39
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:233.30616g/mol
  • Molecular Formula:C17H16O3S
  • Exact Mass:233.141579
  • Monoisotopic Mass:233.141579
  • Complexity:249
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:29.5
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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