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1207-59-6 | 2,5-Dimethoxy-4-nitrobenzaldehyde
CAS No: 1207-59-6 Catalog No: AG009R2O MDL No:MFCD22054475
Product Description
Catalog Number:
AG009R2O
Chemical Name:
2,5-Dimethoxy-4-nitrobenzaldehyde
CAS Number:
1207-59-6
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD22054475
IUPAC Name:
2,5-dimethoxy-4-nitrobenzaldehyde
InChI:
InChI=1S/C9H9NO5/c1-14-8-4-7(10(12)13)9(15-2)3-6(8)5-11/h3-5H,1-2H3
InChI Key:
MZUYNPXWLAMCAG-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1C=O)OC
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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