Cas no 5452-62-0 (heptadecane-3,4-dione)
heptadecane-3,4-dione structure
Product Name:heptadecane-3,4-dione
CAS No:5452-62-0
MF:C17H32O2
MW:268.434785842896
CID:941722
PubChem ID:227386
Update Time:2025-04-19
heptadecane-3,4-dione Chemical and Physical Properties
Names and Identifiers
-
- heptadecane-3,4-dione
- 3,4-Heptadecanedione
- AC1L5FGE
- AC1Q5BVH
- AG-J-89461
- AR-1E9325
- CTK5A1444
- NSC18949
- NSC-18949
- DTXSID40280864
- 5452-62-0
-
- Inchi： 1S/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(19)16(18)4-2/h3-15H2,1-2H3
- InChI Key： UOELRXDXUATFCT-UHFFFAOYSA-N
- SMILES： O=C(C(CC)=O)CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 268.24036
- Monoisotopic Mass: 268.24
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 14
- Complexity: 233
- 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: 6.3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 0.884
- Boiling Point: 341.7°C at 760 mmHg
- Flash Point: 139.9°C
- Refractive Index: 1.445
- PSA: 34.14
- LogP: 5.23570
heptadecane-3,4-dione Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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