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Home > Aldehydes > 886504-01-4
886504-01-4 | 3-Hydroxy-2,4-dimethoxy-6-nitro-benzaldehyde
CAS No: 886504-01-4 Catalog No: AG01EYFO MDL No:
Product Description
Catalog Number:
AG01EYFO
Chemical Name:
3-Hydroxy-2,4-dimethoxy-6-nitro-benzaldehyde
CAS Number:
886504-01-4
Molecular Formula:
C9H9NO6
Molecular Weight:
227.1709
IUPAC Name:
3-hydroxy-2,4-dimethoxy-6-nitrobenzaldehyde
InChI:
InChI=1S/C9H9NO6/c1-15-7-3-6(10(13)14)5(4-11)9(16-2)8(7)12/h3-4,12H,1-2H3
InChI Key:
IPOVDEOBKKXWSF-UHFFFAOYSA-N
SMILES:
COc1c(O)c(OC)cc(c1C=O)[N+](=O)[O-]
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.172g/mol
Monoisotopic Mass:
227.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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