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Home> Hot Product Listed 1   > 1(2H)-Quinolinecarboxylicacid, 2-[(hydroxyamino)iminomethyl]-, ethyl ester
140-10-3 structure

1(2H)-Quinolinecarboxylicacid, 2-[(hydroxyamino)iminomethyl]-, ethyl ester

Iupac Name:(E)-3-phenylprop-2-enoic acid
CAS No.:140-10-3
EINECS(EC#): 260-060-0
Molecular Weight:148.16
Molecular Formula:C24H37CL2NO (isomer)
Names and Identifiers
Synonyms

NSC 159144

Inchi
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChkey
WBYWAXJHAXSJNI-VOTSOKGWSA-N
Canonical Smiles
C1=CC=C(C=C1)C=CC(=O)O
Isomers Smiles
C1=CC=C(C=C1)/C=C/C(=O)O
Properties
Density
1.244
Melting Point
133 °C(lit.)
Vapour
0.005mmHg at 25°C
Refractive Index
1.5049 (estimate)
Flash Point
173.9°C
HS Code
29163900
Safety and Handling
Risk Statements
36/37/38
Safety Statements
26-36-37/39
Transport
20kgs
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Pfizer Ireland Pharmaceuticals 2016
more >
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:148.16g/mol
  • Molecular Formula:C24H37CL2NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.1
  • Exact Mass:148.052
  • Monoisotopic Mass:148.052
  • Complexity:155
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADACAmAAwCIAAAgCI AiDSCAACAAAgAAAIiAAAAMgIJCKAERCAMAAggAAImYcAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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