Cas no 28685-36-1 (Phenol,2-methoxy-3,5-dimethyl-, methylcarbamate (9CI))
28685-36-1 structure
Product Name:Phenol,2-methoxy-3,5-dimethyl-, methylcarbamate (9CI)
CAS No:28685-36-1
MF:C11H15NO3
MW:209.241703271866
CID:283159
PubChem ID:189952
Update Time:2025-04-19
Phenol,2-methoxy-3,5-dimethyl-, methylcarbamate (9CI) Chemical and Physical Properties
Names and Identifiers
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- Phenol,2-methoxy-3,5-dimethyl-, methylcarbamate (9CI)
- (2-methoxy-3,5-dimethylphenyl) N-methylcarbamate
- DTXSID50182840
- Phenol, 2-methoxy-3,5-dimethyl-, methylcarbamate
- 28685-36-1
-
- Inchi： 1S/C11H15NO3/c1-7-5-8(2)10(14-4)9(6-7)15-11(13)12-3/h5-6H,1-4H3,(H,12,13)
- InChI Key： KSQUUGWISDGTGQ-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC(C)=CC=1C)OC(NC)=O
Computed Properties
- Exact Mass: 209.10525
- Monoisotopic Mass: 209.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 220
- 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: 2.2
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- Density: 1.087
- Boiling Point: 308.5°C at 760 mmHg
- Flash Point: 140.4°C
- Refractive Index: 1.509
- PSA: 47.56
Phenol,2-methoxy-3,5-dimethyl-, methylcarbamate (9CI) Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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