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Home> Hot Product Listed N   > n-(2-ethoxy-phenyl)-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide
118-71-8 structure

n-(2-ethoxy-phenyl)-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide

Iupac Name:3-hydroxy-2-methylpyran-4-one
CAS No.:118-71-8
Molecular Weight:126.111
Molecular Formula:C14H8CLN3 (isomer)
Names and Identifiers
Synonyms

2-(3-ethyl-2-ethylimino-4-keto-thiazolidin-5-yl)-n-o-phenetyl-acetamide AKOS000571301 AKOS016317864 AKOS024608449 BAS 06262572 bdbm48961 CHEMBL3213042 cid_2939918 F1383-0016 HMS2459C10 MLS000088670 MOLPORT-000-683-371 MOLPORT-002-250-954 n-(2-ethoxyphenyl)-2-(3-ethyl-2-ethylimino-4-oxidanylidene-1,3-thiazolidin-5-yl)ethanamide n-(2-ethoxyphenyl)-2-(3-ethyl-2-ethylimino-4-oxo-5-thiazolidinyl)acetamide n-(2-ethoxyphenyl)-2-[(2z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide n-(2-ethoxyphenyl)-2-[3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide NCGC00053369-02 smr000072682 ST50279572 STL019699

Inchi
InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3
InChkey
XPCTZQVDEJYUGT-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C(=O)C=CO1)O
Properties
Melting Point
160-164℃
Vapour
0.000228mmHg at 25°C
Refractive Index
n20/D 1.541
HS Code
29329995
Safety and Handling
Risk Statements
R22;R36/37/38
Safety Statements
S26;S37/39
Transport
25kgs
Reach Info
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:126.111g/mol
  • Molecular Formula:C14H8CLN3
  • Compound Is Canonicalized:True
  • Exact Mass:126.032
  • Monoisotopic Mass:126.032
  • Complexity:200
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.5A^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: AAADcYBgMAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAACASggAICAAAABgCI AKBSAAIACAAgIAAICABAAEgAAAAAAAAAQAAAQAAIAYIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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