Cas no 824402-46-2 (Benzeneacetic acid, 3-amino-4-(methoxymethoxy)-, ethyl ester)
824402-46-2 structure
Product Name:Benzeneacetic acid, 3-amino-4-(methoxymethoxy)-, ethyl ester
CAS No:824402-46-2
MF:C12H17NO4
MW:239.267683744431
CID:691482
PubChem ID:71418626
Update Time:2025-04-19
Benzeneacetic acid, 3-amino-4-(methoxymethoxy)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetic acid, 3-amino-4-(methoxymethoxy)-, ethyl ester
- ethyl 2-[3-amino-4-(methoxymethoxy)phenyl]acetate
- DTXSID70837921
- Ethyl [3-amino-4-(methoxymethoxy)phenyl]acetate
- 824402-46-2
-
- Inchi： 1S/C12H17NO4/c1-3-16-12(14)7-9-4-5-11(10(13)6-9)17-8-15-2/h4-6H,3,7-8,13H2,1-2H3
- InChI Key： VBXOYVXUCHICNN-UHFFFAOYSA-N
- SMILES： O(COC)C1C=CC(=CC=1N)CC(=O)OCC
Computed Properties
- Exact Mass: 239.11575802g/mol
- Monoisotopic Mass: 239.11575802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 235
- 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: 1.3
- Topological Polar Surface Area: 70.8?2
Benzeneacetic acid, 3-amino-4-(methoxymethoxy)-, ethyl ester Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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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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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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