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90196-51-3 | 2-Hydroxy-4-methyl-3,5-dinitro-benzaldehyde
CAS No: 90196-51-3 Catalog No: AG01EYYN MDL No:
Product Description
Catalog Number:
AG01EYYN
Chemical Name:
2-Hydroxy-4-methyl-3,5-dinitro-benzaldehyde
CAS Number:
90196-51-3
Molecular Formula:
C8H6N2O6
Molecular Weight:
226.1430
IUPAC Name:
2-hydroxy-4-methyl-3,5-dinitrobenzaldehyde
InChI:
InChI=1S/C8H6N2O6/c1-4-6(9(13)14)2-5(3-11)8(12)7(4)10(15)16/h2-3,12H,1H3
InChI Key:
FDYVDKSXFOLWGT-UHFFFAOYSA-N
SMILES:
O=Cc1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.144g/mol
Monoisotopic Mass:
226.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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