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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4. Realated Product Infomation