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Home> Encyclopedia >   /  Other Inorganic Salts  /  Water Treatment Chemicals  /  Pharmaceutical Intermediates  /  Vitamins, Amino Acids and Coenzymes  /  Other Inorganic Chemicals
4H-1-Benzopyran-4-one,3,5-bis(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-2,3-dihydro-7-hydroxy-,(2R,3R)- structure
4H-1-Benzopyran-4-one,3,5-bis(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-2,3-dihydro-7-hydroxy-,(2R,3R)- structure

4H-1-Benzopyran-4-one,3,5-bis(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-2,3-dihydro-7-hydroxy-,(2R,3R)-

Iupac Name:disodium;dioxido(dioxo)molybdenum
CAS No.:7631-95-0
Molecular Weight:205.91714
1. Names and Identifiers
1.1 Name
4H-1-Benzopyran-4-one,3,5-bis(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-2,3-dihydro-7-hydroxy-,(2R,3R)-
1.2 CAS No.
7631-95-0
1.3 CID
61424
1.4 Molecular Formula
C18H16N2O3 (isomer)
1.5 Inchi
InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1
1.6 InChkey
TVXXNOYZHKPKGW-UHFFFAOYSA-N
1.7 Canonical Smiles
[O-][Mo](=O)(=O)[O-].[Na+].[Na+]
1.8 Isomers Smiles
[O-][Mo](=O)(=O)[O-].[Na+].[Na+]
2. Properties
3.1 Melting Point
687℃
3.2 Refractive Index
1.714
3. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S26;S36
4. 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

5. Computational chemical data
  • Molecular Weight:205.91714g/mol
  • Molecular Formula:C18H16N2O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:207.864601
  • Monoisotopic Mass:207.864601
  • Complexity:62.2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:80.3
  • Heavy Atom Count:7
  • 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:3
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