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Home> Hot Product Listed A   > AKOS005256411
58353-15-4 structure

AKOS005256411

Iupac Name:2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;styrene
CAS No.:58353-15-4
Molecular Weight:332.396
Molecular Formula:C15H17N3O4 (isomer)
Names and Identifiers
Synonyms

2,5-difluoro-3-(trifluoromethyl)benzoic acid

Inchi
InChI=1S/C8H8.C7H10O3.C4H6O2/c1-2-8-6-4-3-5-7-8;1-5(2)7(8)10-4-6-3-9-6;1-3(2)4(5)6/h2-7H,1H2;6H,1,3-4H2,2H3;1H2,2H3,(H,5,6)
InChkey
NNOXSZKYCWGAOL-UHFFFAOYSA-N
Canonical Smiles
CC(=C)C(=O)O.CC(=C)C(=O)OCC1CO1.C=CC1=CC=CC=C1
Computational chemical data
  • Molecular Weight:332.396g/mol
  • Molecular Formula:C15H17N3O4
  • Compound Is Canonicalized:True
  • Exact Mass:332.162
  • Monoisotopic Mass:332.162
  • Complexity:314
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:24
  • 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:3
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