Cas no 325125-16-4 (Benzeneacetic acid, 5-cyano-2-(phenylmethoxy)-)
325125-16-4 structure
Product Name:Benzeneacetic acid, 5-cyano-2-(phenylmethoxy)-
CAS No:325125-16-4
MF:C16H13NO3
MW:267.279324293137
CID:1455612
Update Time:2024-08-25
Benzeneacetic acid, 5-cyano-2-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetic acid, 5-cyano-2-(phenylmethoxy)-
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- Inchi： 1S/C16H13NO3/c17-10-13-6-7-15(14(8-13)9-16(18)19)20-11-12-4-2-1-3-5-12/h1-8H,9,11H2,(H,18,19)
- InChI Key： ZIPAOTFNTZLVHB-UHFFFAOYSA-N
- SMILES： C1(CC(O)=O)=CC(C#N)=CC=C1OCC1=CC=CC=C1
Computed Properties
- Exact Mass: 267.08959
Experimental Properties
- Density: 1.27±0.1 g/cm3(Predicted)
- Boiling Point: 482.5±35.0 °C(Predicted)
- PSA: 70.32
- pka: 3.93±0.10(Predicted)
Benzeneacetic acid, 5-cyano-2-(phenylmethoxy)- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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