Cas no 452978-25-5 (4-Methoxybenzyl 2-(acetoxymethyl)-5-(hydroxymethyl)benzoate)
452978-25-5 structure
Product Name:4-Methoxybenzyl 2-(acetoxymethyl)-5-(hydroxymethyl)benzoate
CAS No:452978-25-5
MF:C19H20O6
MW:344.358506202698
CID:2130442
Update Time:2023-08-03
4-Methoxybenzyl 2-(acetoxymethyl)-5-(hydroxymethyl)benzoate Chemical and Physical Properties
Names and Identifiers
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- 4-methoxybenzyl 2-(acetoxymethyl)-5-(hydroxymethyl)benzoate
- 2-Thiopheneacetic acid, a-[(acetyloxy)methyl]-, (4-methoxyphenyl)methyl ester
- GFNLBAWXBUZNKY-UHFFFAOYSA-N
- 4-Methoxybenzyl 2-(acetoxymethyl)-5-(hydroxymethyl)benzoate
-
- Inchi： 1S/C19H20O6/c1-13(21)24-12-16-6-3-15(10-20)9-18(16)19(22)25-11-14-4-7-17(23-2)8-5-14/h3-9,20H,10-12H2,1-2H3
- InChI Key： GFNLBAWXBUZNKY-UHFFFAOYSA-N
- SMILES： O(CC1C=CC(=CC=1)OC)C(C1C=C(CO)C=CC=1COC(C)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 9
- Complexity: 430
- Topological Polar Surface Area: 82.1
4-Methoxybenzyl 2-(acetoxymethyl)-5-(hydroxymethyl)benzoate Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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