Cas no 760-55-4 (Propanedioic acid,2-octyl-)
Propanedioic acid,2-octyl- structure
Product Name:Propanedioic acid,2-octyl-
Propanedioic acid,2-octyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,2-octyl-
- 2-octylpropanedioic acid
- n-Octylmalonic acid
- octylpropanedioic acid
- SCHEMBL271636
- nonanedicarboxylic
- C8H17CH(CO2H)2
- QJGNSTCICFBACB-UHFFFAOYSA-N
- Propanedioic acid, octyl-
- DTXSID80226903
- 2-octylmalonic acid
- AKOS024368660
- 760-55-4
-
- Inchi： 1S/C11H20O4/c1-2-3-4-5-6-7-8-9(10(12)13)11(14)15/h9H,2-8H2,1H3,(H,12,13)(H,14,15)
- InChI Key： QJGNSTCICFBACB-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)CCCCCCCC)=O
Computed Properties
- Exact Mass: 216.1362
- Monoisotopic Mass: 216.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 187
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- Density: 1.1730
- Melting Point: 116°C
- Boiling Point: 389.33°C (rough estimate)
- Refractive Index: 1.4397 (estimate)
- PSA: 74.6
Propanedioic acid,2-octyl- Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
760-55-4 (Propanedioic acid,2-octyl-) Related Products
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