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Home> Hot Product Listed 9   > 9-benzyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
30389-37-8 structure

9-benzyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

Iupac Name:5-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CAS No.:30389-37-8
Molecular Weight:199.67726
Molecular Formula:C9H13CLN2O (isomer)
Names and Identifiers
Synonyms

AJ-141182 AK152081 AKOS024259636 AX8288537 fch3143909 ZINC98180076

Inchi
InChI=1S/C10H13NO.ClH/c1-12-10-6-2-5-9-8(10)4-3-7-11-9;/h2,5-6,11H,3-4,7H2,1H3;1H
InChkey
ZYPZRSQXPBLALH-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=CC2=C1CCCN2.Cl
Computational chemical data
  • Molecular Weight:199.67726g/mol
  • Molecular Formula:C9H13CLN2O
  • Compound Is Canonicalized:True
  • Exact Mass:199.076
  • Monoisotopic Mass:199.076
  • Complexity:149
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:21.3A^2
  • Heavy Atom Count:13
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccByIAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHgAQAAAADAzBmAYyxoLABACA AiRCQACCCAAhIgAIiIAObIgMJiLEsZuEMChm0BnI6AeQ0KMOAAAAAgAKAAAAAAAEABQAAAAAAAAA AA==
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