Home Carboxys Methyl 4-hydroxy-3-methoxy-5-nitrobenzenecarboxylate

Methyl 4-hydroxy-3-methoxy-5-nitrobenzenecarboxylate

CAS No.:
42590-00-1
Catalog Number:
AG00C8ER
Molecular Formula:
C9H9NO6
Molecular Weight:
227.1709
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Product Description
Catalog Number:
AG00C8ER
Chemical Name:
Methyl 4-hydroxy-3-methoxy-5-nitrobenzenecarboxylate
CAS Number:
42590-00-1
Molecular Formula:
C9H9NO6
Molecular Weight:
227.1709
MDL Number:
MFCD06203667
IUPAC Name:
methyl 4-hydroxy-3-methoxy-5-nitrobenzoate
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
SMILES:
COC(=O)c1cc(OC)c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.043g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.172g/mol
Monoisotopic Mass:
227.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties