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125610-78-8 | [1,1'-Biphenyl]-2-carbonitrile, 4'-methoxy-
CAS No: 125610-78-8 Catalog No: AG000NYY MDL No:MFCD00798182
Product Description
Catalog Number:
AG000NYY
Chemical Name:
[1,1'-Biphenyl]-2-carbonitrile, 4'-methoxy-
CAS Number:
125610-78-8
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
MDL Number:
MFCD00798182
IUPAC Name:
2-(4-methoxyphenyl)benzonitrile
InChI:
InChI=1S/C14H11NO/c1-16-13-8-6-11(7-9-13)14-5-3-2-4-12(14)10-15/h2-9H,1H3
InChI Key:
MOSSOXPGEMBIQV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccccc1C#N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.248g/mol
Monoisotopic Mass:
209.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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