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16855-08-6 | Benzaldehyde, 2-hydroxy-6-nitro-
CAS No: 16855-08-6 Catalog No: AG001Y4P MDL No:MFCD10696865
Product Description
Catalog Number:
AG001Y4P
Chemical Name:
Benzaldehyde, 2-hydroxy-6-nitro-
CAS Number:
16855-08-6
Molecular Formula:
C7H5NO4
Molecular Weight:
167.1189
MDL Number:
MFCD10696865
IUPAC Name:
2-hydroxy-6-nitrobenzaldehyde
InChI:
InChI=1S/C7H5NO4/c9-4-5-6(8(11)12)2-1-3-7(5)10/h1-4,10H
InChI Key:
RYWYLFSBHZEAJD-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)cccc1[N+](=O)[O-]
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:
1.4
Literature
| Title | Journal |
|---|---|
| 2-(4H-1,3-Benzoxazin-2-yl)phenol. | Acta crystallographica. Section E, Structure reports online 20091201 |
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