Dimethyl 4,6-dihydroxyisophthalate - CAS 52959-28-1
Catalog: |
BB043531 |
Product Name: |
Dimethyl 4,6-dihydroxyisophthalate |
CAS: |
52959-28-1 |
Synonyms: |
1,3-Benzenedicarboxylic acid, 4,6-dihydroxy-, dimethyl ester; Dimethyl 2,4-Dihydroxybenzene-1,5-Dicarboxylate; SCHEMBL1538335 |
IUPAC Name: | dimethyl 4,6-dihydroxybenzene-1,3-dicarboxylate |
Description: | Dimethyl 4,6-dihydroxyisophthalate (CAS# 52959-28-1 ) is a useful research chemical. |
Molecular Weight: | 226.18 |
Molecular Formula: | C10H10O6 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1O)O)C(=O)OC |
InChI: | InChI=1S/C10H10O6/c1-15-9(13)5-3-6(10(14)16-2)8(12)4-7(5)11/h3-4,11-12H,1-2H3 |
InChI Key: | CMTOZSKJCALTLF-UHFFFAOYSA-N |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.04773803 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.04773803 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 93.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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