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69022-52-2 | 2,5-Dimethyl-3-nitrobenzaldehyde
CAS No: 69022-52-2 Catalog No: AG005M5V MDL No:
Product Description
Catalog Number:
AG005M5V
Chemical Name:
2,5-Dimethyl-3-nitrobenzaldehyde
CAS Number:
69022-52-2
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
2,5-dimethyl-3-nitrobenzaldehyde
InChI:
InChI=1S/C9H9NO3/c1-6-3-8(5-11)7(2)9(4-6)10(12)13/h3-5H,1-2H3
InChI Key:
SNIIADHYLUSXJJ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)cc(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
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