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2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO [A] CYCLOPROPA [C] CYCLOHEPTENE
1. Namen und Bezeichner
- 1.1 Produktname
- 2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO [A] CYCLOPROPA [C] CYCLOHEPTENE
- 1.2 Synonyme
- 2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO [A] CYCLOPROPA [C] CYCLOHEPTENE
- 1.3 CAS No.
- 4443-71-4
- 1.4 CID
- 10898986
- 1.5 Summenformel
- C11H12O
- 1.6 Inchi
- InChI=1S/C11H12O/c1-2-6-9-8(4-1)5-3-7-10-11(9)12-10/h1-2,4,6,10-11H,3,5,7H2
- 1.7 InchiKey
- OHWMCUHFWPORRH-UHFFFAOYSA-N
- 1.8 Kanonisch SMILES
- C1CC2C(O2)C3=CC=CC=C3C1
- 1.9 Isomere SMILES
- C1CC2C(O2)C3=CC=CC=C3C1
2. SDB-Informationen
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
3. Computerchemische Daten
- Molecular Weight：160.21238g/mol
- Molecular Formula：C11H12O
- Compound Is Canonicalized：True
- Exact Mass：2.2
- XLogP3-AA：160.088815002
- Monoisotopic Mass：160.088815002
- Complexity：178
- Rotatable Bond Count：0
- Hydrogen Bond Donor Count：0
- Hydrogen Bond Acceptor Count：1
- Topological Polar Surface Area：12.5
- Heavy Atom Count：：12
- 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：AAADccBwIAAAAAAAAAAAAAAAEgAAAAAAAAAwAAAABgASAAABAAAAGgAAAAAADBSgmAIwAIAABACAAiBCAAACAAAgAAAIiAAACIgIJiKAMRiCMAAkwAEIqAeAwPAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==
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Update Time:2019/11/25
5. Realisierte Produktinformationen
DE![2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO [A] CYCLOPROPA [C] CYCLOHEPTENE structure](https://structimg.guidechem.com/5/5/105784.png)
![2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE](https://img1.guidechem.com/chem/e/dict/9/4443-71-4.jpg)
