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Propanoic acid, 2-phenoxy-, butyl ester, (R)- structure
Propanoic acid, 2-phenoxy-, butyl ester, (R)- structure

Propanoic acid, 2-phenoxy-, butyl ester, (R)-

Iupac Name:hydride; ytterbium(3+)
CAS No.:32997-62-9
Molecular Weight:176.06382
1. Names and Identifiers
1.1 Name
Propanoic acid, 2-phenoxy-, butyl ester, (R)-
1.2 CAS No.
32997-62-9
1.3 CID
169484
1.4 Molecular Formula
C24H28O5 (isomer)
1.5 Inchi
InChI=1S/Yb.3H/q+3;3*-1
1.6 InChkey
NEUVQBHAWFOYNQ-UHFFFAOYSA-N
1.7 Canonical Smiles
[H-].[H-].[H-].[Yb+3]
1.8 Isomers Smiles
[H-].[H-].[H-].[Yb+3]
2. 3D Conformer
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. Computational chemical data
  • Molecular Weight:176.06382g/mol
  • Molecular Formula:C24H28O5
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:176.9623426
  • Monoisotopic Mass:176.9623426
  • Complexity:0
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:0
  • Heavy Atom Count:1
  • 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:4
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