Cas no 7248-78-4 ( )
structure
Product Name:
CAS No:7248-78-4
MF:C19H30O5
MW:338.438506603241
CID:977186
PubChem ID:237005
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (5-hydroxy-4-oxopyran-2-yl)methyl tridecanoate
- (5-hydroxy-4-oxo-4h-pyran-2-yl)methyl tridecanoate
- AC1L5XUW
- AC1Q6BXQ
- AG-K-06203
- AR-1A6367
- CTK5D6196
- KST-1A9004
- NSC40197
- NSC-40197
- DTXSID90284998
- 7248-78-4
-
-
- Inchi： 1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-19(22)24-14-16-13-17(20)18(21)15-23-16/h13,15,21H,2-12,14H2,1H3
- InChI Key： QRKLISHFRSPYBV-UHFFFAOYSA-N
- SMILES： O(CC1=CC(C(=CO1)O)=O)C(CCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 338.20900
- Monoisotopic Mass: 338.209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 14
- Complexity: 451
- 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: 5.4
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- Density: 1.082
- Boiling Point: 476.6°C at 760 mmHg
- Flash Point: 161.4°C
- Refractive Index: 1.502
- PSA: 76.74000
- LogP: 4.69960
Related Literature
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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