Cas no 100256-61-9 (4,6-Dodecadiynoic acid)
4,6-Dodecadiynoic acid structure
Product Name:4,6-Dodecadiynoic acid
CAS No:100256-61-9
MF:C12H16O2
MW:192.254243850708
CID:124024
PubChem ID:24206695
Update Time:2025-04-18
4,6-Dodecadiynoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4,6-Dodecadiynoic acid
- dodeca-4,6-diynoic acid
- 4,6-dodecanediynoic acid
- ACMC-1BRGP
- AG-D-04799
- CTK0H2341
- Dodeca-4,6-diin-1-saeure
- KB-188274
- TIMTEC-BB SBB008735
- 100256-61-9
- AKOS006292953
- SCHEMBL414690
- DTXSID50639864
-
- Inchi： 1S/C12H16O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-5,10-11H2,1H3,(H,13,14)
- InChI Key： OFGJNRXCKRRARM-UHFFFAOYSA-N
- SMILES： OC(CCC#CC#CCCCCC)=O
Computed Properties
- Exact Mass: 192.11508
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 289
- 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: 3.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
4,6-Dodecadiynoic acid Related Literature
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
100256-61-9 (4,6-Dodecadiynoic acid) Related Products
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- 178560-65-1(5,7-Docosadiynoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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