Cas no 7570-08-3 (4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-2,5-dimethyl-)
7570-08-3 structure
Product Name:4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-2,5-dimethyl-
4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-2,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-2,5-dimethyl-
- Tricyclo[5.2.1.0(2.6)]deca-3,8-diene, 4.9-dimethyl
- Methylcyclopentadiene dimer
- 7570-08-3
- Bis(methylcyclopentadiene); Dimethyldicyclopentadiene
- DSSTox_GSID_27902
- NS00005145
- FT-0628869
- DTXSID40274243
- DSSTox_CID_7902
- 4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
- AKOS026675478
- methyl cyclopentadiene dimer
- CHEMBL1896391
- E80411
- DSSTox_RID_78607
- NCGC00164053-01
- CAS-26472-00-4
- NCGC00257508-01
- Methylcyclopentadiene dimer, mixed isomers
- 4,9-dimethyltricyclo[5.2.1.0^{2,6}]deca-3,8-diene
- NCGC00164053-02
- 2,5-Dimethyldicyclopentadiene
- Tox21_303496
- NCGC00259407-01
- METHYLCYCLOPENTADIENEDIMER
- PS-4167
- Tox21_201858
-
- Inchi: 1S/C12H16/c1-7-3-11-9-5-8(2)10(6-9)12(11)4-7/h4-5,9-12H,3,6H2,1-2H3
- InChI Key: IYQYZZHQSZMZIG-UHFFFAOYSA-N
- SMILES: C12CC(C)=CC1C1C(C)=CC2C1
Computed Properties
- Exact Mass: 160.12528
- Monoisotopic Mass: 160.125200510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 282
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-2,5-dimethyl- Related Literature
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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