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Home> Hot Product Listed S   > Spiro[cyclopentane-1,1'(3'H)-isobenzofuran]-3'-one
606132-25-6 structure

Spiro[cyclopentane-1,1'(3'H)-isobenzofuran]-3'-one

Iupac Name:N-(3-methylbutyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CAS No.:606132-25-6
Molecular Weight:379.522
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

AC1MHQ81 AKOS006280184 CTK2I0701 DTXSID60223354 HE383945 LS-145993 SCHEMBL10252829 spiro(cyclopentane-1,1'(3'h)-isobenzofuran)-3'-one

Inchi
InChI=1S/C22H25N3OS/c1-15(2)12-13-23-20(26)14-27-22-18-6-4-5-7-19(18)24-21(25-22)17-10-8-16(3)9-11-17/h4-11,15H,12-14H2,1-3H3,(H,23,26)
InChkey
AJPPTSVAPBNIHK-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)NCCC(C)C
Properties
Boiling Point
357.7°C at 760 mmHg
Flash Point
°C
Computational chemical data
  • Molecular Weight:379.522g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:5.8
  • Exact Mass:379.172
  • Monoisotopic Mass:379.172
  • Complexity:465
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:27
  • 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
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