Cas no 114085-80-2 (1-Pentanone, 1-(3,4,5-trimethoxyphenyl)-)
114085-80-2 structure
Product Name:1-Pentanone, 1-(3,4,5-trimethoxyphenyl)-
CAS No:114085-80-2
MF:C14H20O4
MW:252.306204795837
CID:1201628
PubChem ID:13891937
Update Time:2025-04-20
1-Pentanone, 1-(3,4,5-trimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanone, 1-(3,4,5-trimethoxyphenyl)-
- 1-(3,4,5-trimethoxyphenyl)pentan-1-one
- DTXSID80551924
- 114085-80-2
- 1-(3,4,5-trimethoxyphenyl)-1-pentanone
- SCHEMBL7835759
- ZXCSAUWRJRVZLN-UHFFFAOYSA-N
-
- Inchi： 1S/C14H20O4/c1-5-6-7-11(15)10-8-12(16-2)14(18-4)13(9-10)17-3/h8-9H,5-7H2,1-4H3
- InChI Key： ZXCSAUWRJRVZLN-UHFFFAOYSA-N
- SMILES： O(C)C1C(=C(C=C(C=1)C(CCCC)=O)OC)OC
Computed Properties
- Exact Mass: 252.13600
- Monoisotopic Mass: 252.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 240
- 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
- XLogP3: 2.9
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76000
- LogP: 3.08530
1-Pentanone, 1-(3,4,5-trimethoxyphenyl)- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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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
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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