Cas no 84040-73-3 (Benz[a]anthracene-1,2-diol, diacetate)
![Benz[a]anthracene-1,2-diol, diacetate structure](https://ossimg.kuujia.com/scimg/84500/84040-73-3x500.png)
84040-73-3 structure
Product Name:Benz[a]anthracene-1,2-diol, diacetate
CAS No:84040-73-3
MF:C22H16O4
MW:344.360046386719
CID:668037
PubChem ID:186297
Update Time:2025-04-19
Benz[a]anthracene-1,2-diol, diacetate Chemical and Physical Properties
Names and Identifiers
-
- Benz[a]anthracene-1,2-diol, diacetate
- 84040-73-3
- DTXSID201004324
- Benz(a)anthracene-1,2-diol, 1,2-diacetate
- Tetraphene-1,2-diyl diacetate
-
- Inchi： 1S/C22H16O4/c1-13(23)25-20-10-9-15-7-8-18-11-16-5-3-4-6-17(16)12-19(18)21(15)22(20)26-14(2)24/h3-12H,1-2H3
- InChI Key： AONXHVFMNYEETQ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1=C(C=CC2C=CC3=CC4C=CC=CC=4C=C3C=21)OC(C)=O
Computed Properties
- Exact Mass: 344.10485899g/mol
- Monoisotopic Mass: 344.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 544
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 52.6?2
Benz[a]anthracene-1,2-diol, diacetate Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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