Cas no 134948-99-5 (Isoquinoline, 1-(3-methoxyphenyl)-)
134948-99-5 structure
Product Name:Isoquinoline, 1-(3-methoxyphenyl)-
CAS No:134948-99-5
MF:C16H13NO
MW:235.280524015427
CID:1237163
Update Time:2024-08-03
Isoquinoline, 1-(3-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Isoquinoline, 1-(3-methoxyphenyl)-
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- Inchi： 1S/C16H13NO/c1-18-14-7-4-6-13(11-14)16-15-8-3-2-5-12(15)9-10-17-16/h2-11H,1H3
- InChI Key： DIQOXAAIASUWRO-UHFFFAOYSA-N
- SMILES： C1(C2=CC=CC(OC)=C2)C2=C(C=CC=C2)C=CN=1
Computed Properties
- Exact Mass: 235.09979
Experimental Properties
- Density: 1.141±0.06 g/cm3(Predicted)
- Boiling Point: 376.9±22.0 °C(Predicted)
- PSA: 22.12
- pka: 4.67±0.30(Predicted)
Isoquinoline, 1-(3-methoxyphenyl)- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
134948-99-5 (Isoquinoline, 1-(3-methoxyphenyl)-) Related Products
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