Cas no 115918-63-3 (Octanedioic-1,8-14C2acid (9CI))
115918-63-3 structure
Product Name:Octanedioic-1,8-14C2acid (9CI)
CAS No:115918-63-3
MF:C8H14O4
MW:178.179445743561
CID:136904
PubChem ID:10035160
Update Time:2025-04-19
Octanedioic-1,8-14C2acid (9CI) Chemical and Physical Properties
Names and Identifiers
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- Octanedioic-1,8-14C2acid (9CI)
- OCTANEDIOIC ACID-CARBOXY-14C
- (1,8-14C2)octanedioic acid
- 115918-63-3
-
- Inchi： 1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)/i7+2,8+2
- InChI Key： TYFQFVWCELRYAO-SHGRYJKJSA-N
- SMILES： O[14C](CCCCCC[14C](=O)O)=O
Computed Properties
- Exact Mass: 174.08922
- Monoisotopic Mass: 178.09569290g/mol
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 135
- 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
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Octanedioic-1,8-14C2acid (9CI) Security Information
- Hazardous Material transportation number：UN 2910 7
- WGK Germany：3
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Hazardous Material Identification：
Octanedioic-1,8-14C2acid (9CI) Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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