Cas no 54370-63-7 (Heptadecanoic acid, 8-acetyl-12-oxo-)
54370-63-7 structure
Product Name:Heptadecanoic acid, 8-acetyl-12-oxo-
CAS No:54370-63-7
MF:C19H34O4
MW:326.470866680145
CID:354793
PubChem ID:20322271
Update Time:2025-04-19
Heptadecanoic acid, 8-acetyl-12-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Heptadecanoic acid, 8-acetyl-12-oxo-
- 8-acetyl-12-oxoheptadecanoic acid
- SCHEMBL11615709
- CIEHFKQASOKBSX-UHFFFAOYSA-N
- 54370-63-7
- CHEMBL3248446
- DTXSID00605216
-
- Inchi： 1S/C19H34O4/c1-3-4-7-13-18(21)14-10-12-17(16(2)20)11-8-5-6-9-15-19(22)23/h17H,3-15H2,1-2H3,(H,22,23)
- InChI Key： CIEHFKQASOKBSX-UHFFFAOYSA-N
- SMILES： O=C(C)C(CCCC(CCCCC)=O)CCCCCCC(=O)O
Computed Properties
- Exact Mass: 326.24582
- Monoisotopic Mass: 326.24570956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 16
- Complexity: 349
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 71.4?2
Experimental Properties
- PSA: 71.44
Heptadecanoic acid, 8-acetyl-12-oxo- Related Literature
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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