The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
Dimethyl 4,5-dihydroxyphthalate - 95%, high purity , CAS No.66323-03-3
Basic Description
Synonyms
dimethyl 4,5-dihydroxyphthalate | 66323-03-3 | dimethyl 4,5-dihydroxybenzene-1,2-dicarboxylate | 20035-53-4 | 4,5-Bis(hydroxy)phthalic acid dimethyl ester | dimethyl4,5-dihydroxyphthalate | SCHEMBL1441640 | DTXSID60349169 | MFCD20265697 | AKOS022187070 | AS-77917 | A867483 | 1,2
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzoic acid esters - p-Hydroxybenzoic acid esters
Direct Parent
p-Hydroxybenzoic acid alkyl esters
Alternative Parents
m-Hydroxybenzoic acid esters Hydroxybenzoic acid derivatives Catechols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Benzoyl - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504759737
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504759737
IUPAC Name
dimethyl 4,5-dihydroxybenzene-1,2-dicarboxylate
INCHI
InChI=1S/C10H10O6/c1-15-9(13)5-3-7(11)8(12)4-6(5)10(14)16-2/h3-4,11-12H,1-2H3
InChIKey
FXPCZDQRACWUBW-UHFFFAOYSA-N
Smiles
COC(=O)C1=CC(=C(C=C1C(=O)OC)O)O
Isomeric SMILES
COC(=O)C1=CC(=C(C=C1C(=O)OC)O)O
Molecular Weight
226.18
Reaxy-Rn
2119976
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2119976&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
226.180 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Exact Mass
226.048 Da
Monoisotopic Mass
226.048 Da
Topological Polar Surface Area
93.100 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
248.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
L2412112