Cas no 89631-00-5 (Octanoic acid, 3-methyl-4-nitro-, methyl ester)
89631-00-5 structure
Product Name:Octanoic acid, 3-methyl-4-nitro-, methyl ester
CAS No:89631-00-5
MF:C10H19NO4
MW:217.26216340065
CID:594074
PubChem ID:71325287
Update Time:2025-04-19
Octanoic acid, 3-methyl-4-nitro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 3-methyl-4-nitro-, methyl ester
- methyl 3-methyl-4-nitrooctanoate
- DTXSID00754652
- 89631-00-5
-
- Inchi： 1S/C10H19NO4/c1-4-5-6-9(11(13)14)8(2)7-10(12)15-3/h8-9H,4-7H2,1-3H3
- InChI Key： BAJVTGZJPAYPRC-UHFFFAOYSA-N
- SMILES： [O-][N+](C(CCCC)C(C)CC(=O)OC)=O
Computed Properties
- Exact Mass: 217.13140809g/mol
- Monoisotopic Mass: 217.13140809g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 212
- 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: 2.5
- Topological Polar Surface Area: 72.1?2
Octanoic acid, 3-methyl-4-nitro-, methyl ester Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Jason Wan Lab Chip, 2020,20, 4528-4538
89631-00-5 (Octanoic acid, 3-methyl-4-nitro-, methyl ester) Related Products
- 16507-02-1(Methyl 4-methyl-4-nitropentanoate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 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)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
Recommended suppliers
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
