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53313-93-2 | Benzeneacetonitrile, a-hydroxy-2-methoxy-
CAS No: 53313-93-2 Catalog No: AG01FM6E MDL No:MFCD12169100
Product Description
Catalog Number:
AG01FM6E
Chemical Name:
Benzeneacetonitrile, a-hydroxy-2-methoxy-
CAS Number:
53313-93-2
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD12169100
IUPAC Name:
2-hydroxy-2-(2-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H9NO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8,11H,1H3
InChI Key:
UYOPHIQZIDOLKF-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1OC)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Inhibitors of dihydrodipicolinate reductase, a key enzyme of the diaminopimelate pathway of Mycobacterium tuberculosis. | Biochimica et biophysica acta 20010209 |
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