Cas no 90422-08-5 (1,3-Benzenediol, 2-methyl-, dibenzoate)
90422-08-5 structure
Product Name:1,3-Benzenediol, 2-methyl-, dibenzoate
CAS No:90422-08-5
MF:C21H20O6
MW:368.379906654358
CID:749870
PubChem ID:67494346
Update Time:2025-04-19
1,3-Benzenediol, 2-methyl-, dibenzoate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol, 2-methyl-, dibenzoate
- benzoic acid,2-methylbenzene-1,3-diol
- SCHEMBL2679685
- 90422-08-5
- DTXSID80737382
- Benzoic acid--2-methylbenzene-1,3-diol (2/1)
-
- Inchi： 1S/C7H8O2.2C7H6O2/c1-5-6(8)3-2-4-7(5)9;2*8-7(9)6-4-2-1-3-5-6/h2-4,8-9H,1H3;2*1-5H,(H,8,9)
- InChI Key： MJWSAXNYEHOEHE-UHFFFAOYSA-N
- SMILES： OC1C=CC=C(C=1C)O.OC(C1C=CC=CC=1)=O.OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 368.12598835g/mol
- Monoisotopic Mass: 368.12598835g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 2
- Complexity: 186
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 115?2
1,3-Benzenediol, 2-methyl-, dibenzoate Related Literature
-
1. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
90422-08-5 (1,3-Benzenediol, 2-methyl-, dibenzoate) Related Products
- 93-44-7(naphthalen-2-yl benzoate)
- 93-99-2(Phenyl benzoate)
- 5446-02-6(Methyl 4-methoxysalicylate)
- 136-36-7(3-Hydroxyphenyl benzoate)
- 552-94-3(Salsalate)
- 17696-62-7(Phenyl 4-hydroxybenzoate)
- 2065-27-2(Methyl 2,6-dimethoxybenzoate)
- 3686-55-3(Methyl 2-ethoxybenzoate)
- 118-55-8(Phenyl salicylate)
- 50-78-2(Aspirin)
Recommended suppliers
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Gold Member
Audited Supplier
CN Supplier
Bulk
