Cas no 68109-89-7 (methyl 3-[(E)-2-(dimethylamino)ethenyl]-2-nitrobenzoate)
![methyl 3-[(E)-2-(dimethylamino)ethenyl]-2-nitrobenzoate structure](https://ossimg.kuujia.com/scimg/68500/68109-89-7x500.png)
68109-89-7 structure
Product Name:methyl 3-[(E)-2-(dimethylamino)ethenyl]-2-nitrobenzoate
CAS No:68109-89-7
MF:C12H14N2O4
MW:250.250563144684
CID:1724069
PubChem ID:771483
Update Time:2025-04-21
methyl 3-[(E)-2-(dimethylamino)ethenyl]-2-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 3-[(E)-2-(dimethylamino)ethenyl]-2-nitrobenzoate
- 3-(2-Dimethylamino-vinyl)-2-nitro-benzoic acid methyl ester
- Benzoic acid, 3-((1E)-2-(dimethylamino)ethenyl)-2-nitro-, methyl ester
- benzoic acid, 3-[(E)-2-(dimethylamino)ethenyl]-2-nitro-, methyl ester
- Methyl 3-[(E)-2-(dimethylamino)vinyl]-2-nitrobenzoate
- 3-[(E)-2-(Dimethylamino)ethenyl]-2-nitrobenzoic acid methyl ester
- CCG-7415
- methyl 3-[2-(E)-(dimethylamino)ethenyl]-2-nitro-benzoate
- METHYL 3-[(1E)-2-(DIMETHYLAMINO)ETHENYL]-2-NITROBENZOATE
- SCHEMBL3781857
- Benzoic acid, 3-[(1E)-2-(dimethylamino)ethenyl]-2-nitro-, methyl ester
- DB-198542
- Methyl 3-(2-(dimethylamino)vinyl)-2-nitrobenzoate
- AKOS001586609
- SR-01000389763
- 68109-89-7
- SR-01000389763-1
- BIM-0019441.P001
- Methyl 3-[2-(E)-(dimethylamino)ethenyl]-2-nitrobenzoate
- DTXSID20887158
- trans-3-(beta-Dimethylaminovinyl)-2-nitrobenzoic acid, methyl ester
-
- Inchi： 1S/C12H14N2O4/c1-13(2)8-7-9-5-4-6-10(12(15)18-3)11(9)14(16)17/h4-8H,1-3H3/b8-7+
- InChI Key： PPCHVJGFXSDKDO-BQYQJAHWSA-N
- SMILES： O(C)C(C1=CC=CC(/C=C/N(C)C)=C1[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 250.09500
- Monoisotopic Mass: 250.09535693g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 336
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 75.4?2
Experimental Properties
- PSA: 75.36000
- LogP: 2.43690
methyl 3-[(E)-2-(dimethylamino)ethenyl]-2-nitrobenzoate Related Literature
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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