Cas no 62458-49-5 (Benzoic acid, 2,3,6-trimethoxy-, phenylmethyl ester)
62458-49-5 structure
Product Name:Benzoic acid, 2,3,6-trimethoxy-, phenylmethyl ester
CAS No:62458-49-5
MF:C17H18O5
MW:302.321825504303
CID:444054
PubChem ID:71386186
Update Time:2025-04-19
Benzoic acid, 2,3,6-trimethoxy-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,3,6-trimethoxy-, phenylmethyl ester
- benzyl 2,3,6-trimethoxybenzoate
- Compound NP-024633
- DTXSID20808383
- AKOS030587646
- 62458-49-5
-
- Inchi： 1S/C17H18O5/c1-19-13-9-10-14(20-2)16(21-3)15(13)17(18)22-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
- InChI Key： WKTUEASUPBAIPX-UHFFFAOYSA-N
- SMILES： O(C(C1C(=CC=C(C=1OC)OC)OC)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 302.11544
- Monoisotopic Mass: 302.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 340
- 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: 3.2
- Topological Polar Surface Area: 54?2
Experimental Properties
- PSA: 53.99
Benzoic acid, 2,3,6-trimethoxy-, phenylmethyl ester Related Literature
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
62458-49-5 (Benzoic acid, 2,3,6-trimethoxy-, phenylmethyl ester) Related Products
- 351002-97-6(Benzoic acid,2,5-diethoxy-, ethyl ester)
- 14160-70-4(Ethyl 5-ethoxy-2-hydroxybenzoate)
- 569-31-3(Meconin)
- 29264-30-0(Benzoic acid,4-ethoxy-2-hydroxy-, ethyl ester)
- 2150-42-7(Methyl 2,3-dimethoxybenzoate)
- 22775-40-2(Ethyl 2-hydroxy-5-methoxybenzoate)
- 6342-70-7(Methyl 2-Hydroxy-3-methoxybenzoate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
Recommended suppliers
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
