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Home> Hot Product Listed A   > AKOS016017053
98-97-5 structure

AKOS016017053

Iupac Name:pyrazine-2-carboxylic acid
CAS No.:98-97-5
Molecular Weight:124.099
Molecular Formula:C17H17N5OS (isomer)
Names and Identifiers
Synonyms

AK417487 BG01531285 ethyl 5-(2-methyl-5-pyridyl)-2-furoate ethyl 5-(6-methylpyridin-3-yl)furan-2-carboxylate mfcd13152497 ZINC45028412

Inchi
InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
InChkey
NIPZZXUFJPQHNH-UHFFFAOYSA-N
Canonical Smiles
C1=CN=C(C=N1)C(=O)O
Properties
Melting Point
222-225℃
Refractive Index
1.578
HS Code
29339990
Safety and Handling
Risk Statements
R11
Safety Statements
S24/25
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  
FULL JOINT 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Sustainability Support Services (Europe) AB 2017
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:124.099g/mol
  • Molecular Formula:C17H17N5OS
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.1
  • Exact Mass:124.027
  • Monoisotopic Mass:124.027
  • Complexity:116
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:63.1A^2
  • Heavy Atom Count:9
  • 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: AAADcYBjMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAACAAACAjBlgQsiBIIEgCo ART3TAQAgCQXEiAIUAG4eEACREhAACAUQIACAADQEMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-21-33758180
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  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
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  • Tel:86-21-61124658
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  • Tel:86-571-86960370
  • Fax:86-571-86940780
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