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167832-66-8 | Benzonitrile, 2-methoxy-6-(phenylmethoxy)-
CAS No: 167832-66-8 Catalog No: AG001XMQ MDL No:MFCD00068212
Product Description
Catalog Number:
AG001XMQ
Chemical Name:
Benzonitrile, 2-methoxy-6-(phenylmethoxy)-
CAS Number:
167832-66-8
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
MDL Number:
MFCD00068212
IUPAC Name:
2-methoxy-6-phenylmethoxybenzonitrile
InChI:
InChI=1S/C15H13NO2/c1-17-14-8-5-9-15(13(14)10-16)18-11-12-6-3-2-4-7-12/h2-9H,11H2,1H3
InChI Key:
IQODCSAPOJQTCB-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1OC)OCc1ccccc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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