Cas no 89631-02-7 (Nonanoic acid, 3-methyl-4-nitro-, methyl ester)
89631-02-7 structure
Product Name:Nonanoic acid, 3-methyl-4-nitro-, methyl ester
CAS No:89631-02-7
MF:C11H21NO4
MW:231.28874373436
CID:594072
PubChem ID:10799522
Update Time:2025-04-19
Nonanoic acid, 3-methyl-4-nitro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Nonanoic acid, 3-methyl-4-nitro-, methyl ester
- methyl 3-methyl-4-nitrononanoate
- 89631-02-7
- DTXSID00445078
-
- Inchi： 1S/C11H21NO4/c1-4-5-6-7-10(12(14)15)9(2)8-11(13)16-3/h9-10H,4-8H2,1-3H3
- InChI Key： FBGXUZRTIUKKOR-UHFFFAOYSA-N
- SMILES： [O-][N+](C(CCCCC)C(C)CC(=O)OC)=O
Computed Properties
- Exact Mass: 231.14705815g/mol
- Monoisotopic Mass: 231.14705815g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 225
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 72.1?2
Nonanoic acid, 3-methyl-4-nitro-, methyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
89631-02-7 (Nonanoic acid, 3-methyl-4-nitro-, methyl ester) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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