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Home> Encyclopedia > Hot Product Listed 2   > 2-Propenoic-1-13C acid(9CI)
1209380-10-8 structure

2-Propenoic-1-13C acid(9CI)

Iupac Name:(2-phenylmorpholin-4-yl)-(4-phenylphenyl)methanone
CAS No.:1209380-10-8
Molecular Weight:343.426
Molecular Formula:C9H12N2O5 (isomer)
Names and Identifiers
Synonyms

ACRYLIC ACID (1-13C) ACRYLIC-1-13C ACID, 99 ATOM % 13C

Inchi
InChI=1S/C23H21NO2/c25-23(21-13-11-19(12-14-21)18-7-3-1-4-8-18)24-15-16-26-22(17-24)20-9-5-2-6-10-20/h1-14,22H,15-17H2
InChkey
AUTKZEJTPGSHBN-UHFFFAOYSA-N
Canonical Smiles
C1COC(CN1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4
Properties
Flash Point
74.2°C
Safety and Handling
Safety
Hazard Codes C,NRisk Statements 10-34-50-35-20/21/22Safety Statements 26-36-45-61-36/37/39RIDADR UN 2218 8/PG 2 WGK Germany 3
Computational chemical data
  • Molecular Weight:343.426g/mol
  • Molecular Formula:C9H12N2O5
  • Compound Is Canonicalized:True
  • Exact Mass:343.157
  • Monoisotopic Mass:343.157
  • Complexity:445
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.5A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAABUAAAHgAAAAAADBThmAYwAIMABACI AiFSEACCAAAkAAAIiAEIDMgKJjKAtRmHMQhkxgGYqYeYyOCOwAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
 
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