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Home Aldehydes 3,4-Dihydroxy-5-nitrobenzaldehyde

3,4-Dihydroxy-5-nitrobenzaldehyde

CAS No.:
116313-85-0
Catalog Number:
AG000C74
Molecular Formula:
C7H5NO5
Molecular Weight:
183.1183
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$19
- +
25g
97%
In Stock USA
United States
$54
- +
100g
≥97%
In Stock USA
United States
$119
- +
Product Description
Catalog Number:
AG000C74
Chemical Name:
3,4-Dihydroxy-5-nitrobenzaldehyde
CAS Number:
116313-85-0
Molecular Formula:
C7H5NO5
Molecular Weight:
183.1183
MDL Number:
MFCD00871897
IUPAC Name:
3,4-dihydroxy-5-nitrobenzaldehyde
InChI:
InChI=1S/C7H5NO5/c9-3-4-1-5(8(12)13)7(11)6(10)2-4/h1-3,10-11H
InChI Key:
BBFJODMCHICIAA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)c(c(c1)[N+](=O)[O-])O
UNII:
34J6743XV2
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.017g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.119g/mol
Monoisotopic Mass:
183.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
(E)-Ethyl 2-cyano-3-(3,4-dihydr-oxy-5-nitro-phen-yl)acrylate. Acta crystallographica. Section E, Structure reports online 20091001
Properties