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Home> Encyclopedia > Hot Product Listed 6   > 6,7-Dihydroxycoumaranone
902361-12-0 structure

6,7-Dihydroxycoumaranone

Iupac Name:N-naphthalen-2-yl-2-prop-2-enylsulfanylacetamide
CAS No.:902361-12-0
Molecular Weight:257.351
Molecular Formula:C14H29NO (isomer)
Names and Identifiers
Synonyms

6,7-dihydroxybenzofuran-2(3h)-one acm298271 AK395963 AKOS027381683 SCHEMBL11477205 ZINC96331064

Inchi
InChI=1S/C15H15NOS/c1-2-9-18-11-15(17)16-14-8-7-12-5-3-4-6-13(12)10-14/h2-8,10H,1,9,11H2,(H,16,17)
InChkey
CTLDGUOWUFLJSN-UHFFFAOYSA-N
Canonical Smiles
C=CCSCC(=O)NC1=CC2=CC=CC=C2C=C1
Properties
Density
1.102
Boiling Point
480.7 °C at 760 mmHg
Computational chemical data
  • Molecular Weight:257.351g/mol
  • Molecular Formula:C14H29NO
  • Compound Is Canonicalized:True
  • Exact Mass:257.087
  • Monoisotopic Mass:257.087
  • Complexity:292
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:54.4A^2
  • Heavy Atom Count:18
  • 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: AAADccByIABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHgQQAAAADAiF2ACwwMLAAAiI AiVSUACCAAAhAhAIiAAAZIgIICLAkZGEIAhglADoyAcQgIAOiAAAQAAQAAAQAACAACAAAAAAAAAA AA==
 
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