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Home Nitriles 4-(4-Methoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile

4-(4-Methoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile

CAS No.:
3648-78-0
Catalog Number:
AG00CMT9
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$424
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Product Description
Catalog Number:
AG00CMT9
Chemical Name:
4-(4-Methoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile
CAS Number:
3648-78-0
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD04061779
IUPAC Name:
4-(4-methoxyphenyl)oxane-4-carbonitrile
InChI:
InChI=1S/C13H15NO2/c1-15-12-4-2-11(3-5-12)13(10-14)6-8-16-9-7-13/h2-5H,6-9H2,1H3
InChI Key:
AEDAKKUAAMXNOA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(CCOCC1)C#N
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties