Cas no 139502-97-9 (Acetic acid, (5-methyl-2-nitrophenoxy)-, ethyl ester)
139502-97-9 structure
Product Name:Acetic acid, (5-methyl-2-nitrophenoxy)-, ethyl ester
CAS No:139502-97-9
MF:C11H13NO5
MW:239.224623441696
CID:1288327
PubChem ID:11010045
Update Time:2025-04-20
Acetic acid, (5-methyl-2-nitrophenoxy)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, (5-methyl-2-nitrophenoxy)-, ethyl ester
- ethyl 2-(5-methyl-2-nitrophenoxy)acetate
- (5-Methyl-2-nitrophenoxy)-acetic acid, ethyl ester
- BCZXBILALQUCCS-UHFFFAOYSA-N
- SCHEMBL9204550
- DTXSID10451786
- AKOS005875102
- DA-34447
- 139502-97-9
-
- Inchi： 1S/C11H13NO5/c1-3-16-11(13)7-17-10-6-8(2)4-5-9(10)12(14)15/h4-6H,3,7H2,1-2H3
- InChI Key： BCZXBILALQUCCS-UHFFFAOYSA-N
- SMILES： O(CC(=O)OCC)C1C=C(C)C=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 239.07939
- Monoisotopic Mass: 239.07937252g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 276
- 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: 81.4?2
Experimental Properties
- PSA: 78.67
Acetic acid, (5-methyl-2-nitrophenoxy)-, ethyl ester Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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