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Home> Hot Product Listed P   > PYRUVIC ACID, SODIUM SALT, [1-14C]-
90765-59-6 structure

PYRUVIC ACID, SODIUM SALT, [1-14C]-

Iupac Name:2-(3-aminopropyl)phenol
CAS No.:90765-59-6
Molecular Weight:151.209
Molecular Formula:C17H20FNO2 (isomer)
Names and Identifiers
Synonyms

[1-14C]PYRUVIC ACID, SODIUM SALT

Inchi
InChI=1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,11H,3,5,7,10H2
InChkey
QWGDENNPWXKGPQ-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C(=C1)CCCN)O
Properties
Density
1.268
Boiling Point
384.5°C at 760 mmHg
Refractive Index
1.564
Flash Point
96.9°C
Safety and Handling
Risk Statements
36/37/38
Safety Statements
Risk Statements 36/37/38Safety Statements 26-36/37/39
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

Computational chemical data
  • Molecular Weight:151.209g/mol
  • Molecular Formula:C17H20FNO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.3
  • Exact Mass:151.1
  • Monoisotopic Mass:151.1
  • Complexity:106
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:11
  • 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
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