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6-METHOXY-2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE structure

6-METHOXY-2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE

 
1. Names and Identifiers
1.1 Name
6-METHOXY-2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE
1.2 Synonyms
2H-Benzo[3,4]cyclohept[1,2-b]oxirene, 1a,3,4,8b-tetrahydro-6-methoxy-; 6-METHOXY-2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE;
1.3 CAS No.
120316-39-4
1.4 CID
16244656
1.5 Molecular Formula
C12H14O2
1.6 Inchi
InChI=1S/C12H14O2/c1-13-9-5-6-10-8(7-9)3-2-4-11-12(10)14-11/h5-7,11-12H,2-4H2,1H3
1.7 InChkey
LZFXIPBZDUSMBH-UHFFFAOYSA-N
1.8 Canonical Smiles
COC1=CC2=C(C=C1)C3C(O3)CCC2
1.9 Isomers Smiles
COC1=CC2=C(C=C1)C3C(O3)CCC2
2. Synthesis Route
120316-39-4Total: 1 Synthesis Route
   
120316-39-4
120316-39-4 1 Suppliers
3. Precursor and Product
precursor:
4. Computed Properties
  • Molecular Weight:190.23836g/mol
  • Molecular Formula:C12H14O2
  • Compound Is Canonicalized:True
  • Exact Mass:2.2
  • XLogP3-AA:190.099379685
  • Monoisotopic Mass:190.099379685
  • Complexity:216
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:21.8
  • Heavy Atom Count::14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADccBwMAAAAAAAAAAAAAAAEgAAAAAAAAAwAAAABgASAAABAAAAGgAAAAAADBSgmAIyBoAABACAAiBCAAACCAAgIAAIiAAGCIgMJiKEMRqCMCAkwBEIqAeA4PwOoAABAAAQAABAAAIAACAAAAAAAAAAAA==
5. Toltal 1 Suppliers View more
Tel: Update Time:2019/11/25
6. Realated Product Infomation
 
 
 
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