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Home> Encyclopedia > Hot Product Listed P   > Puberulin
5471-51-2 structure

Puberulin

Iupac Name:4-(4-hydroxyphenyl)butan-2-one
CAS No.:5471-51-2
EINECS(EC#): 262-452-7
Molecular Weight:164.204
Molecular Formula:C20H32O2 (isomer)
Names and Identifiers
Synonyms

(-)-Fructigenine A Fructigenine A Puberulin Rugulosuvine B

Inchi
InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
InChkey
NJGBTKGETPDVIK-UHFFFAOYSA-N
Canonical Smiles
CC(=O)CCC1=CC=C(C=C1)O
Properties
Density
1.289
Melting Point
82-84℃
Boiling Point
739.7°C at 760 mmHg
Refractive Index
1.535
HS Code
2914501100
Safety and Handling
Risk Statements
R22
Safety Statements
26-36/37/39
Transport
25kgs
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:164.204g/mol
  • Molecular Formula:C20H32O2
  • Compound Is Canonicalized:True
  • Exact Mass:164.084
  • Monoisotopic Mass:164.084
  • Complexity:146
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:12
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAyBoAAAgCI AqBSAAACAAAgIAAIiAEGCIgIJjKCERKAcAAkwBEImAeIyKCOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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