Cas no 145182-73-6 (Benzoic acid,2-amino-3-(methoxymethoxy)-)
145182-73-6 structure
Product Name:Benzoic acid,2-amino-3-(methoxymethoxy)-
CAS No:145182-73-6
MF:C9H11NO4
MW:197.187942743301
CID:101818
PubChem ID:19092997
Update Time:2025-04-18
Benzoic acid,2-amino-3-(methoxymethoxy)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,2-amino-3-(methoxymethoxy)-
- 145182-73-6
- SCHEMBL9348401
- 2-Amino-3-(methoxymethoxy)benzoic acid
- Benzoic acid, 2-amino-3-(methoxymethoxy)- (9CI)
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- Inchi： 1S/C9H11NO4/c1-13-5-14-7-4-2-3-6(8(7)10)9(11)12/h2-4H,5,10H2,1H3,(H,11,12)
- InChI Key： SDOMPOPCWLBURW-UHFFFAOYSA-N
- SMILES： O(COC)C1C=CC=C(C(=O)O)C=1N
Computed Properties
- Exact Mass: 197.06883
- Monoisotopic Mass: 197.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 197
- 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
- Topological Polar Surface Area: 81.8A^2
- XLogP3: 1.2
Experimental Properties
- PSA: 81.78
Benzoic acid,2-amino-3-(methoxymethoxy)- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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