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Home Aldehydes 2-Hydroxy-3-methoxy-5-nitrobenzaldehyde

2-Hydroxy-3-methoxy-5-nitrobenzaldehyde

CAS No.:
17028-61-4
Catalog Number:
AG003HDX
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$69
- +
10g
98%
In Stock USA
United States
$100
- +
25g
98%
In Stock USA
United States
$200
- +
100g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG003HDX
Chemical Name:
2-Hydroxy-3-methoxy-5-nitrobenzaldehyde
CAS Number:
17028-61-4
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00017033
IUPAC Name:
2-hydroxy-3-methoxy-5-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO5/c1-14-7-3-6(9(12)13)2-5(4-10)8(7)11/h2-4,11H,1H3
InChI Key:
HGKHVFKBOHFYSS-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)C=O)[N+](=O)[O-]
NSC Number:
206206
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.032g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
2-Hydr-oxy-N'-(2-hydr-oxy-3-meth-oxy-5-nitro-benzyl-idene)-3-methyl-benzo-hydrazide. Acta crystallographica. Section E, Structure reports online 20100501
(E)-2,4-Dihydr-oxy-N'-(2-hydr-oxy-3-meth-oxy-5-nitro-benzyl-idene)benzohydrazide dihydrate. Acta crystallographica. Section E, Structure reports online 20100501
Structures and vibrational frequencies of 2-hydroxy-3-methoxy-5-nitrobenzaldehyde and 2-methoxy-1-naphthaldehyde based on density functional theory calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060201
Properties