Cas no 21998-12-9 (Benzoic acid,4-[[(methylamino)carbonyl]oxy]-, methyl ester)
![Benzoic acid,4-[[(methylamino)carbonyl]oxy]-, methyl ester structure](https://ossimg.kuujia.com/scimg/22000/21998-12-9x500.png)
21998-12-9 structure
Product Name:Benzoic acid,4-[[(methylamino)carbonyl]oxy]-, methyl ester
CAS No:21998-12-9
MF:C10H11NO4
MW:209.198642969131
CID:256974
PubChem ID:267951
Update Time:2025-04-19
Benzoic acid,4-[[(methylamino)carbonyl]oxy]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-[[(methylamino)carbonyl]oxy]-, methyl ester
- methyl 4-(methylcarbamoyloxy)benzoate
- AC1L6J7V
- AC1Q612O
- AG-J-02349
- AR-1J5347
- CTK4E8189
- methyl 4-[(methylcarbamoyl)oxy]benzoate
- NSC107838
- NSC-107838
- 21998-12-9
- DTXSID60296124
-
- Inchi： 1S/C10H11NO4/c1-11-10(13)15-8-5-3-7(4-6-8)9(12)14-2/h3-6H,1-2H3,(H,11,13)
- InChI Key： BKFZHVOKDABWQH-UHFFFAOYSA-N
- SMILES： O(C(NC)=O)C1C=CC(C(=O)OC)=CC=1
Computed Properties
- Exact Mass: 209.06900
- Monoisotopic Mass: 209.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 234
- 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: 1.5
- Topological Polar Surface Area: 64.6?2
Experimental Properties
- Density: 1.203
- Boiling Point: 307.4°C at 760 mmHg
- Flash Point: 139.7°C
- Refractive Index: 1.521
- PSA: 64.63000
- LogP: 1.58230
Benzoic acid,4-[[(methylamino)carbonyl]oxy]-, methyl ester Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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