Cas no 61574-52-5 (Carbonic acid, 9-anthracenylmethyl 4-nitrophenyl ester)
61574-52-5 structure
Product Name:Carbonic acid, 9-anthracenylmethyl 4-nitrophenyl ester
CAS No:61574-52-5
MF:C22H15NO5
MW:373.358206033707
CID:474316
PubChem ID:11728439
Update Time:2025-04-19
Carbonic acid, 9-anthracenylmethyl 4-nitrophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonic acid, 9-anthracenylmethyl 4-nitrophenyl ester
- anthracen-9-ylmethyl (4-nitrophenyl) carbonate
- Carbonic acid 9-anthrylmethyl 4-nitrophenyl ester
- DTXSID70471223
- LCZC2013
- SCHEMBL2397708
- 61574-52-5
- (ANTHRACEN-9-YL)METHYL 4-NITROPHENYL CARBONATE
-
- Inchi： 1S/C22H15NO5/c24-22(28-18-11-9-17(10-12-18)23(25)26)27-14-21-19-7-3-1-5-15(19)13-16-6-2-4-8-20(16)21/h1-13H,14H2
- InChI Key： ZYONWMRPDVMGDC-UHFFFAOYSA-N
- SMILES： O(C(=O)OC1C=CC(=CC=1)[N+](=O)[O-])CC1C2C=CC=CC=2C=C2C=CC=CC=12
Computed Properties
- Exact Mass: 373.09505
- Monoisotopic Mass: 373.09502258g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 532
- 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: 5.9
- Topological Polar Surface Area: 81.4?2
Experimental Properties
- PSA: 78.67
Carbonic acid, 9-anthracenylmethyl 4-nitrophenyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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