Cas no 87884-40-0 (Ethyl 3-hydroxy-2-phenylpropanoate)
87884-40-0 structure
Product Name:Ethyl 3-hydroxy-2-phenylpropanoate
CAS No:87884-40-0
MF:C11H14O3
MW:194.227063655853
CID:651110
Update Time:2023-08-03
Ethyl 3-hydroxy-2-phenylpropanoate Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, a-(hydroxymethyl)-, ethyl ester, (R)-
- ethyl 3-hydroxy-2-phenylpropanoate
- NVWZHTVEPJITPR-UHFFFAOYSA-N
- Ethyl tropate
- Ethyl tropate #
- 3-hydroxy-2-phenyl-propionic acid ethyl ester
- (RS)-tropic acid ethyl ester
- 2-Ethoxycarbonyl-2-phenylethanol
- ethyl 3-hydroxy-2-phenylpropionate
- Benzeneacetic acid, .alpha.-(hydroxymethyl)-, ethyl ester
- Ethyl 3-hydroxy-2-phenylpropanoate
-
- Inchi： 1S/C11H14O3/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
- InChI Key： NVWZHTVEPJITPR-UHFFFAOYSA-N
- SMILES： O(CC)C(C(CO)C1C=CC=CC=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 173
- XLogP3: 1.5
- Topological Polar Surface Area: 46.5
Ethyl 3-hydroxy-2-phenylpropanoate Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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