Cas no 159225-90-8 (Benzoic acid,3,3'-oxybis[6-hydroxy-, 1,1'-dimethyl ester)
159225-90-8 structure
Product Name:Benzoic acid,3,3'-oxybis[6-hydroxy-, 1,1'-dimethyl ester
CAS No:159225-90-8
MF:C16H14O7
MW:318.278165340424
CID:166176
PubChem ID:157798
Update Time:2025-04-19
Benzoic acid,3,3'-oxybis[6-hydroxy-, 1,1'-dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-hydroxy-5-(4-hydroxy-3-methoxycarbonylphenoxy)benzoate
- Cylindol B
- dimethyl 3,3'-oxybis(6-hydroxybenzoate)
- 159225-90-8
- Benzoic acid, 3,3'-oxybis(6-hydroxy-, dimethyl ester
- DTXSID60166616
- Benzoic acid,3,3'-oxybis[6-hydroxy-, 1,1'-dimethyl ester
-
- Inchi： 1S/C16H14O7/c1-21-15(19)11-7-9(3-5-13(11)17)23-10-4-6-14(18)12(8-10)16(20)22-2/h3-8,17-18H,1-2H3
- InChI Key： VSXYXFKPDHKDNT-UHFFFAOYSA-N
- SMILES： O(C1=CC=C(C(C(=O)OC)=C1)O)C1=CC=C(C(C(=O)OC)=C1)O
Computed Properties
- Exact Mass: 318.074
- Monoisotopic Mass: 318.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 6
- Complexity: 387
- 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: 3.5
- Topological Polar Surface Area: 102?2
Experimental Properties
- Density: 1.367
- Boiling Point: 451.2°Cat760mmHg
- Flash Point: 164.1°C
- Refractive Index: 1.603
Benzoic acid,3,3'-oxybis[6-hydroxy-, 1,1'-dimethyl ester Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
159225-90-8 (Benzoic acid,3,3'-oxybis[6-hydroxy-, 1,1'-dimethyl ester) Related Products
- 2150-46-1(Methyl 2,5-dihydroxybenzoate)
- 4670-56-8(Methyl 4-Methylsalicylate)
- 5446-02-6(Methyl 4-methoxysalicylate)
- 10268-71-0(Phenyl 2-methoxybenzoate)
- 22955-73-3(Dimethyl 4-methoxyisophthalate)
- 552-94-3(Salsalate)
- 606-45-1(Methyl 2-methoxybenzoate)
- 2065-27-2(Methyl 2,6-dimethoxybenzoate)
- 3686-55-3(Methyl 2-ethoxybenzoate)
- 118-55-8(Phenyl salicylate)
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