Cas no 7508-16-9 ( )
structure
Product Name:
CAS No:7508-16-9
MF:C13H19NO3
MW:237.294863939285
CID:981284
PubChem ID:344517
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 5-(2,5-dimethoxyphenyl)pentanamide
- AC1L80QE
- NSC401479
- NSC-401479
- DTXSID80322535
- 7508-16-9
-
-
- Inchi： 1S/C13H19NO3/c1-16-11-7-8-12(17-2)10(9-11)5-3-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H2,14,15)
- InChI Key： XUMAXXFMYPRUIA-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=CC=1CCCCC(N)=O)OC
Computed Properties
- Exact Mass: 237.13657
- Monoisotopic Mass: 237.13649347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 233
- 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
- Topological Polar Surface Area: 61.6?2
Experimental Properties
- PSA: 61.55
- LogP: 2.60220
Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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