Cas no 80550-08-9 (Benzeneacetic acid, 2-hydroxy-1-methylethyl ester)
80550-08-9 structure
Product Name:Benzeneacetic acid, 2-hydroxy-1-methylethyl ester
CAS No:80550-08-9
MF:C11H14O3
MW:194.227063655853
CID:705441
PubChem ID:13244719
Update Time:2025-04-19
Benzeneacetic acid, 2-hydroxy-1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 2-hydroxy-1-methylethyl ester
- 1-hydroxypropan-2-yl 2-phenylacetate
- 1-Hydroxypropan-2-yl phenylacetate
- SCHEMBL13397838
- DTXSID90531530
- 80550-08-9
-
- Inchi： 1S/C11H14O3/c1-9(8-12)14-11(13)7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
- InChI Key： DXHOVHBHSDKPAJ-UHFFFAOYSA-N
- SMILES： O(C(CC1C=CC=CC=1)=O)C(C)CO
Computed Properties
- Exact Mass: 194.094294304g/mol
- Monoisotopic Mass: 194.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 173
- 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
- XLogP3: 1.5
- Topological Polar Surface Area: 46.5?2
Benzeneacetic acid, 2-hydroxy-1-methylethyl ester Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
80550-08-9 (Benzeneacetic acid, 2-hydroxy-1-methylethyl ester) Related Products
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