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Home> Hot Product Listed F   > F0612-0164
2976-75-2 structure

F0612-0164

Iupac Name:2-naphthalen-1-yloxyacetic acid
CAS No.:2976-75-2
Molecular Weight:202.21
Molecular Formula:C23H18N2O2 (isomer)
Names and Identifiers
Synonyms

2-((3-(2-methoxyethyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-n-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide 2-[[3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-n-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide AB00684620-01 AC1N8Q4S AKOS024587462 CCG-28292 MCULE-5068452397 MOLPORT-003-033-695

Inchi
InChI=1S/C12H10O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14)
InChkey
GHRYSOFWKRRLMI-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C=CC=C2OCC(=O)O
Properties
Melting Point
193-198 °C
Vapour
9.71E-07mmHg at 25°C
Refractive Index
1.5430 (estimate)
Safety and Handling
Risk Statements
36/37/38-22
Safety Statements
24/25-36-26
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 2976-75-2 EC: F0612-0164 ·ECHA C&L Inventory for CAS: CAS: 2976-75-2 EC: F0612-0164
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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:202.21g/mol
  • Molecular Formula:C23H18N2O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.8
  • Exact Mass:202.063
  • Monoisotopic Mass:202.063
  • Complexity:227
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.5A^2
  • Heavy Atom Count:15
  • 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: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAACAAADASgmAIwDsAABgCI AiDSCAICCAAgIAAIiABGCIgNJiKEMR6COCCkwBELqAeAwLAOgAABAAAYAAAAAAIAADAAAAAAAAAA AA==
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