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Home Aldehydes 4-Hydroxy-3-methoxy-2-nitrobenzaldehyde

4-Hydroxy-3-methoxy-2-nitrobenzaldehyde

CAS No.:
2450-26-2
Catalog Number:
AG002OD2
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG002OD2
Chemical Name:
4-Hydroxy-3-methoxy-2-nitrobenzaldehyde
CAS Number:
2450-26-2
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00017020
IUPAC Name:
4-hydroxy-3-methoxy-2-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO5/c1-14-8-6(11)3-2-5(4-10)7(8)9(12)13/h2-4,11H,1H3
InChI Key:
PHCNQUJHXJQLQR-UHFFFAOYSA-N
SMILES:
COc1c(O)ccc(c1[N+](=O)[O-])C=O
NSC Number:
95689
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:
0.8  
Literature
Title Journal
(E)-4-[(3,5-Dimethyl-phen-yl)imino-meth-yl]-2-meth-oxy-3-nitro-phenol. Acta crystallographica. Section E, Structure reports online 20120101
Properties