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Home> Hot Product Listed F   > F1903-0008
9039-53-6 structure

F1903-0008

CAS No.:9039-53-6
Molecular Weight:302.35156
Molecular Formula:C15H18O3 (isomer)
Names and Identifiers
Synonyms

AKOS026676848 CHEMBL1735151 MCULE-3518256399 MLS001167073 MOLPORT-003-084-990 smr000641364

Inchi
InChI=1S/C14H14N4O2S/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12/h3-8H,1-2H3,(H,16,19)(H,17,18)
Canonical Smiles
CC(C)OC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CSC=N3
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 9039-53-6 EC: F1903-0008 ·ECHA C&L Inventory for CAS: CAS: 9039-53-6 EC: F1903-0008
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:302.35156g/mol
  • Molecular Formula:C15H18O3
  • XLogP3-AA:2.9
  • Exact Mass:302.083746
  • Monoisotopic Mass:302.083746
  • Complexity:382
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:108
  • Heavy Atom Count:21
  • 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
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