Cas no 36504-66-2 (Benzo[10,11]chryseno[3,4-b]oxirene,8a,9a-dihydro-)
![Benzo[10,11]chryseno[3,4-b]oxirene,8a,9a-dihydro- structure](https://ossimg.kuujia.com/scimg/37000/36504-66-2x500.png)
36504-66-2 structure
Product Name:Benzo[10,11]chryseno[3,4-b]oxirene,8a,9a-dihydro-
CAS No:36504-66-2
MF:C20H12O
MW:268.308685302734
CID:305296
PubChem ID:101053797
Update Time:2025-04-19
Benzo[10,11]chryseno[3,4-b]oxirene,8a,9a-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[10,11]chryseno[3,4-b]oxirene,8a,9a-dihydro-
- BP 9,10-Oxide
- 8a,9a-Dihydrobenzo[1,12]tetrapheno[10,11-b]oxirene
- BENZO(10,11)CHRYSENO(3,4-B)OXIRENE, 8A,9A-DIHYDRO-
- (9S,10R)-benzo[a]pyrene-9,10-epoxide
- UNII-Y49P7H49WX
- Q27294244
- Y49P7H49WX
- BRN 1319945
- BENZO(A)PYRENE 9,10-EPOXIDE, (+/-)-
- 36504-66-2
- 5-17-02-00533 (Beilstein Handbook Reference)
- Benzo(a)pyrene-9,10-epoxide
- Benzo(a)pyrene 9,10-oxide
-
- Inchi： 1S/C20H12O/c1-2-11-4-5-13-10-14-7-9-16-20(21-16)19(14)15-8-6-12(3-1)17(11)18(13)15/h1-10,16,20H/t16-,20-/m1/s1
- InChI Key： GOEJUYABKOTLJA-OXQOHEQNSA-N
- SMILES： O1[C@@H]2C=CC3C=C4C=CC5=CC=CC6C=CC(=C4C=65)C=3[C@H]12
Computed Properties
- Exact Mass: 268.08886
- Monoisotopic Mass: 268.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 482
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 12.5?2
Experimental Properties
- Density: 1.0921 (rough estimate)
- Boiling Point: 371.47°C (rough estimate)
- Refractive Index: 1.6220 (estimate)
- PSA: 12.53
Benzo[10,11]chryseno[3,4-b]oxirene,8a,9a-dihydro- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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