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1261896-62-1 | [1,1'-Biphenyl]-3-carbonitrile, 3'-hydroxy-5'-methyl-
CAS No: 1261896-62-1 Catalog No: AG000S3J MDL No:MFCD18313106
Product Description
Catalog Number:
AG000S3J
Chemical Name:
[1,1'-Biphenyl]-3-carbonitrile, 3'-hydroxy-5'-methyl-
CAS Number:
1261896-62-1
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
MDL Number:
MFCD18313106
IUPAC Name:
3-(3-hydroxy-5-methylphenyl)benzonitrile
InChI:
InChI=1S/C14H11NO/c1-10-5-13(8-14(16)6-10)12-4-2-3-11(7-12)9-15/h2-8,16H,1H3
InChI Key:
UYUJGAPBDHQRSG-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1cc(C)cc(c1)O
Properties
Complexity:
280
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:
1
Isotope Atom Count:
0
Molecular Weight:
209.248g/mol
Monoisotopic Mass:
209.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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