Cas no 53172-03-5 (3-Nonanone,1-(4-hydroxy-3-methoxyphenyl)-)
53172-03-5 structure
Product Name:3-Nonanone,1-(4-hydroxy-3-methoxyphenyl)-
CAS No:53172-03-5
MF:C16H24O3
MW:264.359965324402
CID:372504
PubChem ID:104423
Update Time:2025-04-19
3-Nonanone,1-(4-hydroxy-3-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Nonanone,1-(4-hydroxy-3-methoxyphenyl)-
- 1-(4-Hydroxy-3-methoxyphenyl)nonan-3-one
- 53172-03-5
- SCHEMBL4885822
- DTXSID50967694
- NS00056934
- EINECS 258-411-8
-
- Inchi： 1S/C16H24O3/c1-3-4-5-6-7-14(17)10-8-13-9-11-15(18)16(12-13)19-2/h9,11-12,18H,3-8,10H2,1-2H3
- InChI Key： CLNNPXNIUKIPIP-UHFFFAOYSA-N
- SMILES： O=C(CCC1C=CC(=C(C=1)OC)O)CCCCCC
Computed Properties
- Exact Mass: 264.17262
- Monoisotopic Mass: 264.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 252
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 9
- XLogP3: nothing
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.027
- Boiling Point: 392.8°Cat760mmHg
- Flash Point: 137.3°C
- Refractive Index: 1.508
- PSA: 46.53
3-Nonanone,1-(4-hydroxy-3-methoxyphenyl)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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