Cas no 212516-35-3 (Verimol B)
Verimol B structure
Product Name:Verimol B
CAS No:212516-35-3
MF:C18H20O5
MW:316.348405838013
CID:6644078
PubChem ID:45360335
Update Time:2024-03-02
Verimol B Chemical and Physical Properties
Names and Identifiers
-
- CHEBI:175066
- Verimol B
- NCGC00347769-02![2-hydroxy-1-(4-methoxyphenyl)propyl] 4-methoxybenzoate
- AKOS040738835
- Compound NP-014909
- 212516-35-3
- [2-hydroxy-1-(4-methoxyphenyl)propyl] 4-methoxybenzoate
- 2-hydroxy-1-(4-methoxyphenyl)propyl 4-methoxybenzoate
-
- Inchi： 1S/C18H20O5/c1-12(19)17(13-4-8-15(21-2)9-5-13)23-18(20)14-6-10-16(22-3)11-7-14/h4-12,17,19H,1-3H3
- InChI Key： PCUOEOPTDCUNQQ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)OC)=O)C(C1C=CC(=CC=1)OC)C(C)O
Computed Properties
- Exact Mass: 316.13107373g/mol
- Monoisotopic Mass: 316.13107373g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 356
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 65?2
Verimol B Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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