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52709-86-1 | [1,1'-Biphenyl]-4-carbonitrile, 4'-propoxy-
CAS No: 52709-86-1 Catalog No: AG00I9FD MDL No:MFCD00183206
Product Description
Catalog Number:
AG00I9FD
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 4'-propoxy-
CAS Number:
52709-86-1
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
MDL Number:
MFCD00183206
IUPAC Name:
4-(4-propoxyphenyl)benzonitrile
InChI:
InChI=1S/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3
InChI Key:
RZCQJZFWJZHMPK-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)c1ccc(cc1)C#N
EC Number:
258-122-7
Properties
Complexity:
277
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:
4.1
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