Cas no 881-67-4 (Benzene, 1-(dimethoxymethyl)-4-nitro-)
881-67-4 structure
Product Name:Benzene, 1-(dimethoxymethyl)-4-nitro-
Benzene, 1-(dimethoxymethyl)-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(dimethoxymethyl)-4-nitro-
- 1-(dimethoxymethyl)-4-nitrobenzene
- 1-Dimethoxymethyl-4-nitrobenzene
- 4-nitrobenzaldehyde dimethyl acetal
- p-nitrobenzaldehyde dimethyl acetal
- SCHEMBL1530455
- DTXSID00344471
- 881-67-4
-
- Inchi： 1S/C9H11NO4/c1-13-9(14-2)7-3-5-8(6-4-7)10(11)12/h3-6,9H,1-2H3
- InChI Key： MFVJTNDASLLDEF-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC(=CC=1)[N+](=O)[O-])OC
Computed Properties
- Exact Mass: 197.06900
- Monoisotopic Mass: 197.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 180
- 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: 1.4
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- PSA: 64.28000
- LogP: 2.40940
Benzene, 1-(dimethoxymethyl)-4-nitro- Related Literature
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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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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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