Home Aldehydes 17028-61-4
17028-61-4,MFCD00017033
Catalog No.:AA003HB5
17028-61-4 | 2-Hydroxy-3-methoxy-5-nitrobenzaldehyde
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1g
98%
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$20.00
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5g
98%
in stock  
$55.00
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10g
98%
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$80.00
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25g
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100g
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HB5
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
Computed 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  

Synonyms
 
2-hydroxy-3-methoxy-5-nitrobenzaldehyde 
HMN cpd 
AE-848/30539046 
5-Nitro-o-vanillin 
NSC206206 
AC1L7BQP 
ACMC-1BT2M 
AC1Q47HZ 
Oprea1_169427 
SCHEMBL766081 
CHEMBL3660315 
SCHEMBL12111145 
2-Hydroxy-3-methoxy-5-nitrobenzaldehyde 
CTK4D3551 
DTXSID10308645 
BDBM110978 
SP443 
ALBB-014026 
ZX-AN012768 
5487AD 
ANW-22448 
BBL023100 
SBB092115 
17028-61-4 
STK047835 
ZINC51530814 
AKOS000113486 
3-METHOXY-5-NITROSALICYLADEHYDE 
FCH1112996 
MCULE-4823211881 
NSC-206206 
VZ24724 
3-Methoxy-5-nitrosalicylaldehyde, 98% 
2-hydroxy-5-nitro-3-methoxybenzaldehyde 
3-Methoxy-5-nitrosalicylaldehyde 
AC-25808 
CC-10867 
AB0005413 
AB1002223 
AJ-111674 
AX8006237 
Benzaldehyde,2-hydroxy-3-methoxy-5-nitro- 
DB-043817 
TC-111193 
FT-0615978 
2-Hydroxy-5-nitro-m-anisaldehyde 
R1346 
ST24040668 
ST45113541 
C-09051 
US8614253, .3-9 
J-010612 
I01-16097 
InChI=1/C8H7NO5/c1-14-7-3-6(9(12)13)2-5(4-10)8(7)11/h2-4,11H,1H 
C8H7NO5 
CID307886 
HGKHVFKBOHFYSS-UHFFFAOYSA-N 
H0397 
MFCD00017033 
AK-63541 
Benzaldehyde, 2-hydroxy-3-methoxy-5-nitro- 
Literature

Title: 2-Hydr-oxy-N'-(2-hydr-oxy-3-meth-oxy-5-nitro-benzyl-idene)-3-methyl-benzo-hydrazide.

Journal: Acta crystallographica. Section E, Structure reports online 20100501

Title: (E)-2,4-Dihydr-oxy-N'-(2-hydr-oxy-3-meth-oxy-5-nitro-benzyl-idene)benzohydrazide dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20100501

Title: Structures and vibrational frequencies of 2-hydroxy-3-methoxy-5-nitrobenzaldehyde and 2-methoxy-1-naphthaldehyde based on density functional theory calculations.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060201

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