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Home Aldehydes Benzaldehyde, 2-hydroxy-3-methoxy-4-nitro-

Benzaldehyde, 2-hydroxy-3-methoxy-4-nitro-

CAS No.:
20041-61-6
Catalog Number:
AG00I3QE
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
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Product Description
Catalog Number:
AG00I3QE
Chemical Name:
Benzaldehyde, 2-hydroxy-3-methoxy-4-nitro-
CAS Number:
20041-61-6
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD25960721
IUPAC Name:
2-hydroxy-3-methoxy-4-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO5/c1-14-8-6(9(12)13)3-2-5(4-10)7(8)11/h2-4,11H,1H3
InChI Key:
PAQVXXZKNYZUOH-UHFFFAOYSA-N
SMILES:
COc1c(O)c(C=O)ccc1[N+](=O)[O-]
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:
1.4  
Literature
Title Journal
6-Formyl-2-meth-oxy-3-nitro-phenyl 4-toluene-sulfonate. Acta crystallographica. Section E, Structure reports online 20081001
Properties