Home Aldehydes 2,6-dimethyl-3-nitrobenzaldehyde

2,6-dimethyl-3-nitrobenzaldehyde

CAS No.:
179554-17-7
Catalog Number:
AG01BTDS
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
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Product Description
Catalog Number:
AG01BTDS
Chemical Name:
2,6-dimethyl-3-nitrobenzaldehyde
CAS Number:
179554-17-7
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD16249783
IUPAC Name:
2,6-dimethyl-3-nitrobenzaldehyde
InChI:
InChI=1S/C9H9NO3/c1-6-3-4-9(10(12)13)7(2)8(6)5-11/h3-5H,1-2H3
InChI Key:
UUDATMQRVSHPJK-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)ccc(c1C)[N+](=O)[O-]
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties