Cas no 212516-34-2 (Verimol A)
Verimol A structure
Product Name:Verimol A
CAS No:212516-34-2
MF:C18H20O5
MW:316.348405838013
CID:6644229
PubChem ID:45360336
Update Time:2024-03-02
Verimol A Chemical and Physical Properties
Names and Identifiers
-
- [1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate
- Verimol A
- Compound NP-014910
- 212516-34-2
- 1-hydroxy-1-(4-methoxyphenyl)propan-2-yl 4-methoxybenzoate
- CHEBI:175067
- AKOS040738834
-
- Inchi： 1S/C18H20O5/c1-12(17(19)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： MHJLKHNHGMUAPQ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)OC)=O)C(C)C(C1C=CC(=CC=1)OC)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 A Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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