Cas no 63969-78-8 (Benzeneacetic acid, 2-(2-oxoethyl)-, 1-methylethyl ester)
63969-78-8 structure
Product Name:Benzeneacetic acid, 2-(2-oxoethyl)-, 1-methylethyl ester
CAS No:63969-78-8
MF:C13H16O3
MW:220.264344215393
CID:1664078
Update Time:2024-09-03
Benzeneacetic acid, 2-(2-oxoethyl)-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetic acid, 2-(2-oxoethyl)-, 1-methylethyl ester
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- Inchi： 1S/C13H16O3/c1-10(2)16-13(15)9-12-6-4-3-5-11(12)7-8-14/h3-6,8,10H,7,9H2,1-2H3
- InChI Key： KVUQWSPKQCCJSR-UHFFFAOYSA-N
- SMILES： C1(CC(OC(C)C)=O)=CC=CC=C1CC=O
Computed Properties
- Exact Mass: 220.10998
Experimental Properties
- Density: 1.070±0.06 g/cm3(Predicted)
- Boiling Point: 316.4±22.0 °C(Predicted)
- PSA: 43.37
Benzeneacetic acid, 2-(2-oxoethyl)-, 1-methylethyl ester Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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