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2460-58-4 | Benzaldehyde, 2-hydroxy-4-nitro-
CAS No: 2460-58-4 Catalog No: AG002OPO MDL No:MFCD00049373
Product Description
Catalog Number:
AG002OPO
Chemical Name:
Benzaldehyde, 2-hydroxy-4-nitro-
CAS Number:
2460-58-4
Molecular Formula:
C7H5NO4
Molecular Weight:
167.1189
MDL Number:
MFCD00049373
IUPAC Name:
2-hydroxy-4-nitrobenzaldehyde
InChI:
InChI=1S/C7H5NO4/c9-4-5-1-2-6(8(11)12)3-7(5)10/h1-4,10H
InChI Key:
HHDPXULKSZZACU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1O)[N+](=O)[O-]
EC Number:
219-549-4
NSC Number:
82622
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.12g/mol
Monoisotopic Mass:
167.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Interference of H-bonding and substituent effects in nitro- and hydroxy-substituted salicylaldehydes. | Journal of molecular modeling 20120101 |
| A novel approach for the design of a highly selective sulfate-ion-selective electrode. | Chemical communications (Cambridge, England) 20090121 |
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