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Home> Hot Product Listed E   > EX-37-398
520-33-2 structure

EX-37-398

Iupac Name:(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CAS No.:520-33-2
Molecular Weight:302.28
Molecular Formula:C18H22N4 (isomer)
Names and Identifiers
Synonyms

2-(2-(3-fluorobenzylidene)hydrazino)-n-(1-naphthyl)-2-oxoacetamide 2-(2-(3-fluorobenzylidene)hydrazinyl)-n-(naphthalen-1-yl)-2-oxoacetamide AK248821 AKOS024418368

Inchi
InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
InChkey
AIONOLUJZLIMTK-AWEZNQCLSA-N
Canonical Smiles
COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
Isomers Smiles
COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O
Properties
Melting Point
230-232°C
Refractive Index
-4 ° (C=1.8, EtOH)
HS Code
29329990
Safety and Handling
Risk Statements
36/37/38
Safety Statements
26-36/37/39-27-37
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 520-33-2 EC: EX-37-398 ·ECHA C&L Inventory for CAS: CAS: 520-33-2 EC: EX-37-398
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:302.28g/mol
  • Molecular Formula:C18H22N4
  • Compound Is Canonicalized:True
  • Exact Mass:302.079
  • Monoisotopic Mass:302.079
  • Complexity:413
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:96.2A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:1
  • 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: AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACRQAAAGgAACAAADBSgmAIyBoAABgCI AqBSAAACCAAkIAAIiAEGiMgNJzaGNRqCeWOl4BULuQfI7PzOIAABCAAIQABAAAIQABCAAAAAAAAA AA==
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