Cas no 61340-34-9 (Benzoic acid, 5-(acetyloxy)-2-amino-, methyl ester)
61340-34-9 structure
Product Name:Benzoic acid, 5-(acetyloxy)-2-amino-, methyl ester
CAS No:61340-34-9
MF:C10H11NO4
MW:209.198642969131
CID:483330
PubChem ID:71396799
Update Time:2025-04-19
Benzoic acid, 5-(acetyloxy)-2-amino-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-(acetyloxy)-2-amino-, methyl ester
- methyl 5-acetyloxy-2-aminobenzoate
- Methyl 5-(acetyloxy)-2-aminobenzoate
- 61340-34-9
- DTXSID90818338
-
- Inchi： 1S/C10H11NO4/c1-6(12)15-7-3-4-9(11)8(5-7)10(13)14-2/h3-5H,11H2,1-2H3
- InChI Key： KNKXNALSBGNTDL-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=CC(=C(C(=O)OC)C=1)N
Computed Properties
- Exact Mass: 209.06883
- Monoisotopic Mass: 209.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 254
- 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: 2.4
- Topological Polar Surface Area: 78.6?2
Experimental Properties
- PSA: 78.62
Benzoic acid, 5-(acetyloxy)-2-amino-, methyl ester Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
61340-34-9 (Benzoic acid, 5-(acetyloxy)-2-amino-, methyl ester) Related Products
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