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Home> Hot Product Listed 2   > 2-PROPENOIC ACID, 3-(2-THIENYL)-2-CYANO-3-HYDROXY-ETHYL ESTER
26239-55-4 structure

2-PROPENOIC ACID, 3-(2-THIENYL)-2-CYANO-3-HYDROXY-ETHYL ESTER

Iupac Name:2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]acetic acid
CAS No.:26239-55-4
Molecular Weight:190.155
Molecular Formula:NI (isomer)
Names and Identifiers
Synonyms

2-propenoic acid, 3-(2-thienyl)-2-cyano-3-hydroxy-, ethyl ester

Inchi
InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
InChkey
QZTKDVCDBIDYMD-UHFFFAOYSA-N
Canonical Smiles
C(C(=O)N)N(CC(=O)O)CC(=O)O
Properties
Melting Point
219℃ (dec.)
Vapour
2E-12mmHg at 25°C
HS Code
29241900
Safety and Handling
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
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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:190.155g/mol
  • Molecular Formula:NI
  • Compound Is Canonicalized:True
  • Exact Mass:190.059
  • Monoisotopic Mass:190.059
  • Complexity:211
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:121A^2
  • Heavy Atom Count:13
  • 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: AAADccBjOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADBgAQACANAAgAI AAGQGAAAAAAAAAAAAACIAAACQAAAACAQAAAAEACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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