Cas no 56554-66-6 (2-Methoxy-6-(8-pentadecenyl)benzoic acid methyl ester)
56554-66-6 structure
Product Name:2-Methoxy-6-(8-pentadecenyl)benzoic acid methyl ester
CAS No:56554-66-6
MF:C24H38O3
MW:374.5567278862
CID:1599232
PubChem ID:595360
Update Time:2025-04-21
2-Methoxy-6-(8-pentadecenyl)benzoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Methoxy-6-(8-pentadecenyl)benzoic acid methyl ester
- 2-methoxy-6-(8-pentadecenyl)-benzoic acid methyl ester
- 56554-66-6
- DB-261257
- BENZOIC ACID, 2-ETHOXY-6-(8-PENTADECENYL)-METHYL ESTER
-
- Inchi： 1S/C24H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(26-2)23(21)24(25)27-3/h9-10,17,19-20H,4-8,11-16,18H2,1-3H3
- InChI Key： GWJVQEFQSYCXHT-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=CC(=C1C(=O)OC)CCCCCCCC=CCCCCCC
Computed Properties
- Exact Mass: 374.28209507g/mol
- Monoisotopic Mass: 374.28209507g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 16
- Complexity: 391
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 8.7
- Topological Polar Surface Area: 35.5?2
2-Methoxy-6-(8-pentadecenyl)benzoic acid methyl ester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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