Home Other Building Blocks 3-HYDROXY-4-METHOXY-2-NITRO-BENZALDEHYDE

3-HYDROXY-4-METHOXY-2-NITRO-BENZALDEHYDE

CAS No.:
6284-92-0
Catalog Number:
AG00E9E3
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
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Product Description
Catalog Number:
AG00E9E3
Chemical Name:
3-HYDROXY-4-METHOXY-2-NITRO-BENZALDEHYDE
CAS Number:
6284-92-0
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00031118
IUPAC Name:
3-hydroxy-4-methoxy-2-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO5/c1-14-6-3-2-5(4-10)7(8(6)11)9(12)13/h2-4,11H,1H3
InChI Key:
SJAKQVOAWQEVJV-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1O)[N+](=O)[O-])C=O
NSC Number:
5399
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  
Properties