Cas no 68162-50-5 (Benzoic acid,3,4,5-trihydroxy-, 2-hydroxyethyl ester)
68162-50-5 structure
Product Name:Benzoic acid,3,4,5-trihydroxy-, 2-hydroxyethyl ester
CAS No:68162-50-5
MF:C9H10O6
MW:214.172103404999
CID:526373
PubChem ID:3017835
Update Time:2025-04-19
Benzoic acid,3,4,5-trihydroxy-, 2-hydroxyethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-hydroxyethyl 3,4,5-trihydroxybenzoate
- 2-hydroxyethyl gallate
- BENZOIC ACID,3,4,5-TRIHYDROXY-, 2-HYDROXYETHYL ESTER
- 68162-50-5
- SCHEMBL1885404
- DTXSID40987664
- NS00063111
- NNCBVVNCQYNPPB-UHFFFAOYSA-N
- EINECS 269-011-8
- 3,4,5-Trihydroxybenzoic acid 2-hydroxy-ethyl ester
- Benzoic acid,3,4,5-trihydroxy-, 2-hydroxyethyl ester
-
- Inchi： 1S/C9H10O6/c10-1-2-15-9(14)5-3-6(11)8(13)7(12)4-5/h3-4,10-13H,1-2H2
- InChI Key： NNCBVVNCQYNPPB-UHFFFAOYSA-N
- SMILES： O(CCO)C(C1C=C(C(=C(C=1)O)O)O)=O
Computed Properties
- Exact Mass: 214.0477
- Monoisotopic Mass: 214.04773803g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 207
- 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: 0.2
- Topological Polar Surface Area: 107?2
Experimental Properties
- PSA: 107.22
Benzoic acid,3,4,5-trihydroxy-, 2-hydroxyethyl ester Related Literature
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
68162-50-5 (Benzoic acid,3,4,5-trihydroxy-, 2-hydroxyethyl ester) Related Products
- 2150-43-8(Methyl 3,4-dihydroxybenzoate)
- 39630-68-7(Diethyl 5-hydroxyisophthalate)
- 4142-98-7(Ethyl 3,5-dihydroxybenzoate)
- 121-79-9(Propyl gallate)
- 3943-89-3(Ethyl 3,4-dihydroxybenzoate)
- 7781-98-8(Ethyl 3-hydroxybenzoate)
- 831-61-8(Ethyl gallate)
- 2496-90-4(2-Hydroxyethyl 4-hydroxybenzoate)
- 1138-60-9(Isopropylgallate)
- 99-24-1(Methyl gallate)
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