Cas no 490031-21-5 ((1R)-1-(3-Hydroxyphenyl)ethyl butanoate)
490031-21-5 structure
Product Name:(1R)-1-(3-Hydroxyphenyl)ethyl butanoate
CAS No:490031-21-5
MF:C12H16O3
MW:208.253643989563
CID:2850535
PubChem ID:71362707
Update Time:2025-04-21
(1R)-1-(3-Hydroxyphenyl)ethyl butanoate Chemical and Physical Properties
Names and Identifiers
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- DTXSID40786316
- (1R)-1-(3-Hydroxyphenyl)ethyl butanoate
- 490031-21-5
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- Inchi： 1S/C12H16O3/c1-3-5-12(14)15-9(2)10-6-4-7-11(13)8-10/h4,6-9,13H,3,5H2,1-2H3/t9-/m1/s1
- InChI Key： XYUGHDKPANSXKV-SECBINFHSA-N
- SMILES： O(C(CCC)=O)[C@H](C)C1C=CC=C(C=1)O
Computed Properties
- Exact Mass: 208.109944368Da
- Monoisotopic Mass: 208.109944368Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 203
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 46.5?2
(1R)-1-(3-Hydroxyphenyl)ethyl butanoate Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
490031-21-5 ((1R)-1-(3-Hydroxyphenyl)ethyl butanoate) Related Products
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