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122778-92-1 | Phenol, 4-methyl-2-(2-phenylethynyl)-
CAS No: 122778-92-1 Catalog No: AG000JGW MDL No:
Product Description
Catalog Number:
AG000JGW
Chemical Name:
Phenol, 4-methyl-2-(2-phenylethynyl)-
CAS Number:
122778-92-1
Molecular Formula:
C15H12O
Molecular Weight:
208.2552
IUPAC Name:
4-methyl-2-(2-phenylethynyl)phenol
InChI:
InChI=1S/C15H12O/c1-12-7-10-15(16)14(11-12)9-8-13-5-3-2-4-6-13/h2-7,10-11,16H,1H3
InChI Key:
QGFBMXDGHLMIEH-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C#Cc1ccccc1)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.26g/mol
Monoisotopic Mass:
208.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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