Cas no 16493-42-8 (Octanoic acid, 7-oxo-,methyl ester)
16493-42-8 structure
Product Name:Octanoic acid, 7-oxo-,methyl ester
CAS No:16493-42-8
MF:C9H16O3
MW:172.221543312073
CID:121689
PubChem ID:539108
Update Time:2025-04-18
Octanoic acid, 7-oxo-,methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 7-oxo-,methyl ester
- Methyl-7-oxooctanoate
- 7-Oxooctanoic acid methyl ester
- 7-Ketocaprylic acid methyl ester
- 6-Acetylcaproic acid methyl ester
- 16493-42-8
- SCHEMBL3628963
- AT40189
- Octanoic acid, 7-oxo-, methyl ester
- NKWMLOXILABMHV-UHFFFAOYSA-N
- 7-oxo-octanoic acid methyl ester
- Methyl 7-oxooctanoate
- Methyl 7-oxooctanoate #
-
- Inchi： 1S/C9H16O3/c1-8(10)6-4-3-5-7-9(11)12-2/h3-7H2,1-2H3
- InChI Key： NKWMLOXILABMHV-UHFFFAOYSA-N
- SMILES： O(C)C(CCCCCC(C)=O)=O
Computed Properties
- Exact Mass: 172.109944368g/mol
- Monoisotopic Mass: 172.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 152
- 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: 1.1
- Topological Polar Surface Area: 43.4?2
Octanoic acid, 7-oxo-,methyl ester Related Literature
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
16493-42-8 (Octanoic acid, 7-oxo-,methyl ester) Related Products
- 51568-18-4(Succinylacetone)
- 30828-09-2(4-Oxododecanedioic acid)
- 14112-98-2(7-Oxooctanoic acid)
- 1117-74-4(4-Oxohexanoic acid)
- 10191-25-0(3-Oxopentanoic Acid)
- 123-76-2(4-oxopentanoic acid)
- 3128-06-1(Glurate)
- 542-05-2(1,3-Acetonedicarboxylic acid)
- 3128-07-2(5-Acetylvaleric acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
