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1134-43-6 | Benzaldehyde, 2-ethoxy-4-nitro-
CAS No: 1134-43-6 Catalog No: AG0008G0 MDL No:
Product Description
Catalog Number:
AG0008G0
Chemical Name:
Benzaldehyde, 2-ethoxy-4-nitro-
CAS Number:
1134-43-6
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
2-ethoxy-4-nitrobenzaldehyde
InChI:
InChI=1S/C9H9NO4/c1-2-14-9-5-8(10(12)13)4-3-7(9)6-11/h3-6H,2H2,1H3
InChI Key:
LMFJUKPFHRKMED-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1C=O)[N+](=O)[O-]
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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