Cas no 62218-29-5 (Benzoic acid, 2-[bis(4-hydroxyphenyl)methyl]-, methyl ester)
![Benzoic acid, 2-[bis(4-hydroxyphenyl)methyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/62500/62218-29-5x500.png)
62218-29-5 structure
Product Name:Benzoic acid, 2-[bis(4-hydroxyphenyl)methyl]-, methyl ester
CAS No:62218-29-5
MF:C21H18O4
MW:334.365226268768
CID:454073
PubChem ID:71388712
Update Time:2025-04-19
Benzoic acid, 2-[bis(4-hydroxyphenyl)methyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-[bis(4-hydroxyphenyl)methyl]-, methyl ester
- methyl 2-[bis(4-hydroxyphenyl)methyl]benzoate
- 62218-29-5
- DTXSID00810767
-
- Inchi： 1S/C21H18O4/c1-25-21(24)19-5-3-2-4-18(19)20(14-6-10-16(22)11-7-14)15-8-12-17(23)13-9-15/h2-13,20,22-23H,1H3
- InChI Key： CYGWTRRQCKDSSC-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC=CC=1C(C1C=CC(=CC=1)O)C1C=CC(=CC=1)O)=O
Computed Properties
- Exact Mass: 334.12054
- Monoisotopic Mass: 334.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 5
- Complexity: 400
- 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: 5
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
Benzoic acid, 2-[bis(4-hydroxyphenyl)methyl]-, methyl ester Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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