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PB166237428 structure
PB166237428 structure

PB166237428

Iupac Name:magnesium;sulfate
CAS No.:7487-88-9
Molecular Weight:120.36800
1. Names and Identifiers
1.1 Name
PB166237428
1.2 Synonyms

1-(1-acetyl-2,3-dihydro-1h-indol-5-yl)-2-(4-methanesulfonylphenoxy)propan-1-one 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methanesulfonylphenoxy)propan-1-one AKOS016893645 MCULE-6918836534 MOLPORT-010-449-472 Z166159960

1.3 CAS No.
7487-88-9
1.4 CID
24083
1.5 Molecular Formula
C13H11NO3 (isomer)
1.6 Inchi
InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
1.7 InChkey
CSNNHWWHGAXBCP-UHFFFAOYSA-L
1.8 Canonical Smiles
[O-]S(=O)(=O)[O-].[Mg+2]
1.9 Isomers Smiles
[O-]S(=O)(=O)[O-].[Mg+2]
2. Properties
3.1 Melting point
1124 °C
3.1 Refractive index
Index of refraction: 1.56
3.1 Vapour pressure
<0.1 mm Hg ( 20 °C)
3.1 Precise Quality
119.93700
3.1 PSA
88.64000
3.1 logP
-0.25720
3. Safety and Handling
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S22-S24/25
4.1 RIDADR
无资料?
4.1 WGK Germany
1
4.1 RTECS
OM4500000
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:120.36800g/mol
  • Molecular Formula:C13H11NO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:119.9367713
  • Monoisotopic Mass:119.9367713
  • Complexity:62.2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:88.6
  • Heavy Atom Count:6
  • 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:2
6. Question & Answer
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