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Home> Encyclopedia > Hot Product Listed 5   > 5,8-Dioxa-2-thiaspiro[3.4]octane,1-chloro-, 2,2-dioxide
24630-99-7 structure

5,8-Dioxa-2-thiaspiro[3.4]octane,1-chloro-, 2,2-dioxide

Iupac Name:5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one
CAS No.:24630-99-7
Molecular Weight:203.245
Molecular Formula:C27H29NO10 (isomer)
Names and Identifiers
Synonyms

1-chloro-5,8-dioxa-2??-thiaspiro[3.4]octane-2,2-dione 1-chloro-5,8-dioxa-2-thiaspiro[3.4]octane 2,2-dioxide 3-chloro-5,8-dioxa-2 3-chloro-5,8-dioxa-2lambda6-thiaspiro[3.4]octane 2,2-dioxide AC1L6W0X AKOS024329398 DTXSID80306214 HE177080 MCULE-8449573365 NSC 174653 nsc174653 nsc-174653

Inchi
InChI=1S/C11H13N3O/c1-13(2)10-8-11(15)14(12-10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChkey
ZFFCYENJNDAAQH-UHFFFAOYSA-N
Canonical Smiles
CN(C)C1=NN(C(=O)C1)C2=CC=CC=C2
Properties
Boiling Point
372.4°C at 760 mmHg
Flash Point
146.1°C
Computational chemical data
  • Molecular Weight:203.245g/mol
  • Molecular Formula:C27H29NO10
  • Compound Is Canonicalized:True
  • Exact Mass:203.106
  • Monoisotopic Mass:203.106
  • Complexity:280
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:35.9A^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: AAADccBzIAAAAAAAAAAAAAAAAAAAAQAAAAAwAAAAAAAAAAABAAAAHgAIAAAACAiBkAQzwIMAAACo ACdycACSBAAhAgAbiAE4ZIgIICrA0ZGEIAhgjADIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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