3-Methoxy-4-hydroxybenzaldehyde oxime - CAS 2874-33-1
Catalog: |
BB046936 |
Product Name: |
3-Methoxy-4-hydroxybenzaldehyde oxime |
CAS: |
2874-33-1 |
Synonyms: |
Benzaldehyde, 4-hydroxy-3-methoxy-, oxime; Vanillin Oxime; 4-hydroxy-3-methoxybenzaldehyde oxime; NSC 16680; 4-hydroxy-3-methoxybenzaldoxime; N-(4-hydroxy-3-methoxybenzylidene)hydroxyamine |
Related CAS: | 134283-49-1 (E-isomer)
|
IUPAC Name: | 4-(hydroxyiminomethyl)-2-methoxyphenol |
Description: | 3-Methoxy-4-hydroxybenzaldehyde oxime (CAS# 2874-33-1 ) is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | COC1=C(C=CC(=C1)C=NO)O |
InChI: | InChI=1S/C8H9NO3/c1-12-8-4-6(5-9-11)2-3-7(8)10/h2-5,10-11H,1H3 |
InChI Key: | RJJVVYVLHWMYAA-UHFFFAOYSA-N |
Boiling Point: | 312.6±32.0 °C (Predicted) |
Melting Point: | 120-121 °C |
Purity: | ≥ 97 % |
Density: | 1.21±0.1 g/cm3 (Predicted) |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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