Cas no 896160-51-3 (Benzoic acid, 3-(1-cyclopropyl-1-methylethyl)-)
896160-51-3 structure
Product Name:Benzoic acid, 3-(1-cyclopropyl-1-methylethyl)-
CAS No:896160-51-3
MF:C13H16O2
MW:204.264944076538
CID:1943367
Update Time:2025-01-02
Benzoic acid, 3-(1-cyclopropyl-1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-(1-cyclopropyl-1-methylethyl)-
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- Inchi： 1S/C13H16O2/c1-13(2,10-6-7-10)11-5-3-4-9(8-11)12(14)15/h3-5,8,10H,6-7H2,1-2H3,(H,14,15)
- InChI Key： LXHUBOMIKYJHOI-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC=CC(C(C2CC2)(C)C)=C1
Experimental Properties
- Density: 1.147±0.06 g/cm3(Predicted)
- Boiling Point: 329.8±21.0 °C(Predicted)
- pka: 4.30±0.10(Predicted)
Benzoic acid, 3-(1-cyclopropyl-1-methylethyl)- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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