Cas no 88703-44-0 (4-Octanone, 1-hydroxy-3-methyl-)
88703-44-0 structure
Product Name:4-Octanone, 1-hydroxy-3-methyl-
CAS No:88703-44-0
MF:C9H18O2
MW:158.238023281097
CID:623873
PubChem ID:13164087
Update Time:2025-04-19
4-Octanone, 1-hydroxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Octanone, 1-hydroxy-3-methyl-
- 1-hydroxy-3-methyloctan-4-one
- 88703-44-0
- 1-hydroxy-3-methyl-4-octanone
- DTXSID50524044
-
- Inchi： 1S/C9H18O2/c1-3-4-5-9(11)8(2)6-7-10/h8,10H,3-7H2,1-2H3
- InChI Key： HTQDJBYUEMRZQE-UHFFFAOYSA-N
- SMILES： O=C(CCCC)C(C)CCO
Computed Properties
- Exact Mass: 158.130679813g/mol
- Monoisotopic Mass: 158.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 37.3?2
4-Octanone, 1-hydroxy-3-methyl- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Jason Wan Lab Chip, 2020,20, 4528-4538
88703-44-0 (4-Octanone, 1-hydroxy-3-methyl-) Related Products
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