Methyl 4-hydroxy-3-methoxy-5-nitrobenzoate - CAS 42590-00-1
Catalog: |
BB043174 |
Product Name: |
Methyl 4-hydroxy-3-methoxy-5-nitrobenzoate |
CAS: |
42590-00-1 |
Synonyms: |
Methyl 4-hydroxy-3-methoxy-5-nitrobenzenecarboxylate; Methyl 4-hydroxy-5-methoxy-3-nitrobenzoate; Benzoic acid, 4-hydroxy-3-methoxy-5-nitro-, methyl ester; 2-Hydroxy-3-methoxy-5-(methoxycarbonyl)nitrobenzene |
IUPAC Name: | methyl 4-hydroxy-3-methoxy-5-nitrobenzoate |
Description: | Methyl 4-hydroxy-3-methoxy-5-nitrobenzoate (CAS# 42590-00-1 ) is a useful research chemical. |
Molecular Weight: | 227.17 |
Molecular Formula: | C9H9NO6 |
Canonical SMILES: | COC1=CC(=CC(=C1O)[N+](=O)[O-])C(=O)OC |
InChI: | InChI=1S/C9H9NO6/c1-15-7-4-5(9(12)16-2)3-6(8(7)11)10(13)14/h3-4,11H,1-2H3 |
InChI Key: | ZQIHGTCQYHQBMY-UHFFFAOYSA-N |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.04298701 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.04298701 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 102 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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