Cas no 90047-31-7 (1,2-Aceanthrylenediol, 1,2-dihydro-, trans-)
90047-31-7 structure
Product Name:1,2-Aceanthrylenediol, 1,2-dihydro-, trans-
CAS No:90047-31-7
MF:C16H12O2
MW:236.265284538269
CID:795541
PubChem ID:13262720
Update Time:2025-04-19
1,2-Aceanthrylenediol, 1,2-dihydro-, trans- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Aceanthrylenediol, 1,2-dihydro-, trans-
- (1R,2R)-1,2-dihydroaceanthrylene-1,2-diol
- DTXSID60532857
- 90047-31-7
-
- Inchi： 1S/C16H12O2/c17-15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(13(10)12)16(15)18/h1-8,15-18H/t15-,16-/m1/s1
- InChI Key： YIRNENCQAWZCNH-HZPDHXFCSA-N
- SMILES： O[C@H]1[C@@H](C2=CC=CC3=CC4C=CC=CC=4C1=C23)O
Computed Properties
- Exact Mass: 236.083729621g/mol
- Monoisotopic Mass: 236.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 329
- 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: 2.5
- Topological Polar Surface Area: 40.5?2
1,2-Aceanthrylenediol, 1,2-dihydro-, trans- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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