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Pharmaceutical Intermediates
2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE
CAS:
4443-71-4
MW:
160.21238
MF:
C11H12O
 
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Names and ldentifier
Msds
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE
1.2 Synonyms
2,3,4,8b-Tetrahydro-1aH-benzo[3,4]cyclohepta[1,2-b]oxirene; 2H-Benzo[3,4]cyclohept[1,2-b]oxirene, 1a,3,4,8b-tetrahydro-;
1.3 CAS No.
4443-71-4
1.4 CID
10898986
1.5 Molecular Formula
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 InChkey
OHWMCUHFWPORRH-UHFFFAOYSA-N
1.8 Canonical Smiles
C1CC2C(O2)C3=CC=CC=C3C1
1.9 Isomers Smiles
C1CC2C(O2)C3=CC=CC=C3C1
2. MSDS
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
View all
3. Computed Properties
Molecular Weight:
160.21238g/mol
Molecular Formula:
C
11
H
12
O
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==
4. Toltal 1 Suppliers
View more
Zannan Pharma, Ltd.
Tel:
Update Time:
2019/11/25
inquire
5. Realated Product Infomation
6-METHOXY-2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE
cas:120316-39-4
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-METHOXY-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE
cas:166411-96-7
3-BROMO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE
cas:939760-60-8
3,5-DICHLORO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE
cas:939760-61-9
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.
Msds
3.
Computational chemical data
4.
Toltal 1 Suppliers
5.
Realated Product Infomation
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