Cas no 88071-21-0 (2-Propanone, 1-(4-hydroxybutoxy)-)
88071-21-0 structure
Product Name:2-Propanone, 1-(4-hydroxybutoxy)-
CAS No:88071-21-0
MF:C7H14O3
MW:146.184262752533
CID:646289
PubChem ID:57199272
Update Time:2025-04-19
2-Propanone, 1-(4-hydroxybutoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone, 1-(4-hydroxybutoxy)-
- 1-(4-hydroxybutoxy)propan-2-one
- DTXSID20720531
- 88071-21-0
-
- Inchi： 1S/C7H14O3/c1-7(9)6-10-5-3-2-4-8/h8H,2-6H2,1H3
- InChI Key： XDWGKZZROLFMDK-UHFFFAOYSA-N
- SMILES： O(CC(C)=O)CCCCO
Computed Properties
- Exact Mass: 146.094294304g/mol
- Monoisotopic Mass: 146.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 90.9
- 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: -0.1
- Topological Polar Surface Area: 46.5?2
2-Propanone, 1-(4-hydroxybutoxy)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
88071-21-0 (2-Propanone, 1-(4-hydroxybutoxy)-) Related Products
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