Cas no 51568-19-5 (Octanoic acid,5,7-dioxo-)
Octanoic acid,5,7-dioxo- structure
Product Name:Octanoic acid,5,7-dioxo-
CAS No:51568-19-5
MF:C8H12O4
MW:172.178483009338
CID:377857
PubChem ID:318731
Update Time:2025-04-19
Octanoic acid,5,7-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid,5,7-dioxo-
- 5,7-dioxooctanoic acid
- AC1L7YQS
- AG-F-74689
- CTK4J4477
- NSC257822
- NSC-257822
- 51568-19-5
- SCHEMBL515966
- FT-0744392
- AKOS006273856
- DTXSID20312551
- 5,7-diketo-octanoic acid
- 9-AMINO-9-BICYCLO[3.3.1]NONANECARBOXYLICACID
-
- Inchi： 1S/C8H12O4/c1-6(9)5-7(10)3-2-4-8(11)12/h2-5H2,1H3,(H,11,12)
- InChI Key： JOQHEPMHRUHJFD-UHFFFAOYSA-N
- SMILES： O=C(CC(C)=O)CCCC(=O)O
Computed Properties
- Exact Mass: 172.07356
- Monoisotopic Mass: 172.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 195
- 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: -0.4
- Topological Polar Surface Area: 71.4?2
Experimental Properties
- Density: 1.152
- Boiling Point: 347°C at 760 mmHg
- Flash Point: 177.9°C
- Refractive Index: 1.457
- PSA: 71.44
- LogP: 0.78950
Octanoic acid,5,7-dioxo- Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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