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Home> Encyclopedia >Pharmaceutical Intermediates>Herbal Extract>Essential oils and others
WORMSEED OIL structure
WORMSEED OIL structure

WORMSEED OIL

Iupac Name:6-iodo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CAS No.: 8024-11-1
Molecular Weight:262.05
Modify Date.: 2022-11-10 19:56
1. Names and Identifiers
1.1 Name
WORMSEED OIL
1.2 Synonyms

American wormseed oil ARTEMISIACINABERGOIL Cat mint oil Oils, wormseed WORMSEED OIL USP/EP/BP

1.3 CAS No.
8024-11-1
1.4 CID
46318220
1.5 Molecular Formula
C7H7IN2O (isomer)
1.6 Inchi
InChI=1S/C7H7IN2O/c8-6-2-1-5-7(10-6)11-4-3-9-5/h1-2,9H,3-4H2
1.7 InChkey
JMOGCZVMMIYNOX-UHFFFAOYSA-N
1.8 Canonical Smiles
C1C2NCCOC=2N=C(I)C=1
1.9 Isomers Smiles
C1C2NCCOC=2N=C(I)C=1
2. Computational chemical data
  • Molecular Weight: 262.05g/mol
  • Molecular Formula: C7H7IN2O
  • Compound Is Canonicalized: True
  • XLogP3-AA: 1.6
  • Exact Mass: 261.96031
  • Monoisotopic Mass: 261.96031
  • Complexity: 144
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 34.2
  • Heavy Atom Count: 11
  • 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: AAADcYBjIAAAAgAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAACxgAAAHgAwAAAACAjjkgYwxJLIFACgACRiRACCiCAhMiAImKA9fJgOZuLEsJufOCjk0BHY6AaQEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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