Cas no 89351-91-7 (3-Heptanone, 1-methoxy-)
3-Heptanone, 1-methoxy- structure
Product Name:3-Heptanone, 1-methoxy-
CAS No:89351-91-7
MF:C8H16O2
MW:144.211442947388
CID:603515
PubChem ID:12807115
Update Time:2025-04-19
3-Heptanone, 1-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Heptanone, 1-methoxy-
- 1-methoxyheptan-3-one
- SCHEMBL24798414
- DTXSID20510333
- AKOS011913118
- 89351-91-7
-
- Inchi： 1S/C8H16O2/c1-3-4-5-8(9)6-7-10-2/h3-7H2,1-2H3
- InChI Key： IZWQYFKUYCAWEP-UHFFFAOYSA-N
- SMILES： O(C)CCC(CCCC)=O
Computed Properties
- Exact Mass: 144.115029749g/mol
- Monoisotopic Mass: 144.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 89.3
- 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: 1.1
- Topological Polar Surface Area: 26.3?2
3-Heptanone, 1-methoxy- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
-
Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
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