2,5-Dihydroxyterephthalaldehyde - CAS 1951-36-6
Catalog: |
BB063885 |
Product Name: |
2,5-Dihydroxyterephthalaldehyde |
CAS: |
1951-36-6 |
Synonyms: |
2,5-dihydroxyterephthalaldehyde; 2,5-dihydroxy-1,4-benzenedicarboxaldehyde; 1,4-Benzenedicarboxaldehyde, 2,5-dihydroxy-; 2,5-dihydroxybenzene-1,4-dicarbaldehyde |
IUPAC Name: | 2,5-dihydroxyterephthalaldehyde |
Description: | 2,5-DIHYDROXYTEREPHTHALALDEHYDE (cas# 1951-36-6) is a useful research chemical. |
Molecular Weight: | 166.13 |
Molecular Formula: | C8H6O4 |
Canonical SMILES: | C1=C(C(=CC(=C1O)C=O)O)C=O |
InChI: | InChI=1S/C8H6O4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-4,11-12H |
InChI Key: | PIWMYUGNZBJTID-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.02660867 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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