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Home > Aldehydes > 112919-66-1
112919-66-1 | Benzaldehyde, 5-(acetyloxy)-4-methoxy-2-nitro-
CAS No: 112919-66-1 Catalog No: AG007RO4 MDL No:
Product Description
Catalog Number:
AG007RO4
Chemical Name:
Benzaldehyde, 5-(acetyloxy)-4-methoxy-2-nitro-
CAS Number:
112919-66-1
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
IUPAC Name:
(5-formyl-2-methoxy-4-nitrophenyl) acetate
InChI:
InChI=1S/C10H9NO6/c1-6(13)17-10-3-7(5-12)8(11(14)15)4-9(10)16-2/h3-5H,1-2H3
InChI Key:
RYZIOPWMVFNTOJ-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1OC(=O)C)C=O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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