Cas no 98954-55-3 (2-(Furan-2-ylmethyl)butanoic acid)
98954-55-3 structure
Product Name:2-(Furan-2-ylmethyl)butanoic acid
CAS No:98954-55-3
MF:C9H12O3
MW:168.189783096313
CID:4723455
PubChem ID:247972
Update Time:2024-03-01
2-(Furan-2-ylmethyl)butanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(furan-2-ylmethyl)butanoic acid
- 2-Furan-2-ylmethyl-butyric acid
- NSC63851
- 2-(Furan-2-ylmethyl)butanoic acid
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- Inchi： 1S/C9H12O3/c1-2-7(9(10)11)6-8-4-3-5-12-8/h3-5,7H,2,6H2,1H3,(H,10,11)
- InChI Key： QUOHDJCSGPDTTF-UHFFFAOYSA-N
- SMILES： O1C=CC=C1CC(C(=O)O)CC
Computed Properties
- Exact Mass: 168.078644241g/mol
- Monoisotopic Mass: 168.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 156
- 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
- Topological Polar Surface Area: 50.4
- XLogP3: 1.7
2-(Furan-2-ylmethyl)butanoic acid Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
98954-55-3 (2-(Furan-2-ylmethyl)butanoic acid) Related Products
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