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6-METHOXY-2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE
CAS:
120316-39-4
MW:
190.23836
MF:
C12H14O2
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
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
120316-39-4
Total: 1 Synthesis Route
93340-26-2
120316-39-4
1 Suppliers
3. Precursor and Product
precursor:
93340-26-2
4. Computed Properties
Molecular Weight:
190.23836g/mol
Molecular Formula:
C
12
H
14
O
2
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
Zannan Pharma, Ltd.
Tel:
Update Time:
2019/11/25
inquire
6. Realated Product Infomation
2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE
cas:4443-71-4
3-METHOXY-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE
cas:166411-96-7
5-METHOXY-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE
cas:939760-64-2
3-FLUORO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE
cas:939760-59-5
5-CHLORO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE
cas:74124-88-2
3-BROMO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE
cas:939760-60-8
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Synthesis Route
3.
Precursor and Product
4.
Computational chemical data
5.
Toltal 1 Suppliers
6.
Realated Product Infomation
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