Cas no 13777-75-8 (2-Furanpropanol 2-acetate)
2-Furanpropanol 2-acetate structure
Product Name:2-Furanpropanol 2-acetate
CAS No:13777-75-8
MF:C9H14O4
MW:186.205063343048
CID:2084272
PubChem ID:71351661
Update Time:2025-04-21
2-Furanpropanol 2-acetate Chemical and Physical Properties
Names and Identifiers
-
- 2-Furanpropanol 2-acetate
- acetic acid,3-(furan-2-yl)propan-1-ol
- DTXSID10777094
- 13777-75-8
- Acetic acid--3-(furan-2-yl)propan-1-ol (1/1)
-
- Inchi： 1S/C7H10O2.C2H4O2/c8-5-1-3-7-4-2-6-9-7;1-2(3)4/h2,4,6,8H,1,3,5H2;1H3,(H,3,4)
- InChI Key： PCUTYHJPXDKSIG-UHFFFAOYSA-N
- SMILES： O1C=CC=C1CCCO.OC(C)=O
Computed Properties
- Exact Mass: 186.08920892Da
- Monoisotopic Mass: 186.08920892Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 104
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 70.7?2
2-Furanpropanol 2-acetate Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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