Cas no 168689-41-6 (Octanoic acid, 8-amino-7-oxo-, hydrochloride (1:1))
168689-41-6 structure
Product Name:Octanoic acid, 8-amino-7-oxo-, hydrochloride (1:1)
CAS No:168689-41-6
MF:C8H16ClNO3
MW:209.670541763306
CID:2781529
PubChem ID:71350241
Update Time:2025-04-21
Octanoic acid, 8-amino-7-oxo-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
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- CHEMBL2286788
- Octanoic acid, 8-amino-7-oxo-, hydrochloride (1:1)
- 8-AMINO-7-OXOOCTANOIC ACID HYDROCHLORIDE
- DTXSID40776050
- 168689-41-6
- 8-amino-7-oxooctanoic acid;hydrochloride
- 8-Amino-7-oxooctanoic acid--hydrogen chloride (1/1)
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- Inchi： 1S/C8H15NO3.ClH/c9-6-7(10)4-2-1-3-5-8(11)12;/h1-6,9H2,(H,11,12);1H
- InChI Key： UUDMHRYCKXFSKE-UHFFFAOYSA-N
- SMILES： Cl.O=C(CN)CCCCCC(=O)O
Computed Properties
- Exact Mass: 209.0818711Da
- Monoisotopic Mass: 209.0818711Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 156
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.4?2
Octanoic acid, 8-amino-7-oxo-, hydrochloride (1:1) Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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
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