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3343-59-7 | 3,4-Dihydroxybenzaldehyde oxime
CAS No: 3343-59-7 Catalog No: AG003IHL MDL No:
Product Description
Catalog Number:
AG003IHL
Chemical Name:
3,4-Dihydroxybenzaldehyde oxime
CAS Number:
3343-59-7
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
IUPAC Name:
4-[(E)-hydroxyiminomethyl]benzene-1,2-diol
InChI:
InChI=1S/C7H7NO3/c9-6-2-1-5(4-8-11)3-7(6)10/h1-4,9-11H/b8-4+
InChI Key:
NUFMSECAGOXHAV-XBXARRHUSA-N
SMILES:
O/N=C/c1ccc(c(c1)O)O
NSC Number:
637189
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Novel estrogen receptor ligands based on an anthranylaldoxime structure: role of the phenol-type pseudocycle in the binding process. | Journal of medicinal chemistry 20030911 |
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