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21013-96-7 | Benzaldehyde, 2-hydroxy-, oxime, [C(E)]-
CAS No: 21013-96-7 Catalog No: AG002KM5 MDL No:MFCD00002120
Product Description
Catalog Number:
AG002KM5
Chemical Name:
Benzaldehyde, 2-hydroxy-, oxime, [C(E)]-
CAS Number:
21013-96-7
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD00002120
IUPAC Name:
2-(hydroxyiminomethyl)phenol
InChI:
InChI=1S/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-5,9-10H
InChI Key:
ORIHZIZPTZTNCU-UHFFFAOYSA-N
SMILES:
ON=Cc1ccccc1O
EC Number:
202-353-8
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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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