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RARECHEM AL MP 0511

CAS No.:
672931-13-4
Catalog Number:
AG01DWL4
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
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Product Description
Catalog Number:
AG01DWL4
Chemical Name:
RARECHEM AL MP 0511
CAS Number:
672931-13-4
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
MDL Number:
MFCD09923962
IUPAC Name:
2-(2-methyl-4-phenylmethoxyphenyl)acetonitrile
InChI:
InChI=1S/C16H15NO/c1-13-11-16(8-7-15(13)9-10-17)18-12-14-5-3-2-4-6-14/h2-8,11H,9,12H2,1H3
InChI Key:
QCTSWMZDSNPKNQ-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1C)OCc1ccccc1
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties