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809231-58-1 | Benzene,4-methoxy-2-methyl-1-(2-phenylethynyl)-
CAS No: 809231-58-1 Catalog No: AG005HVS MDL No:
Product Description
Catalog Number:
AG005HVS
Chemical Name:
Benzene,4-methoxy-2-methyl-1-(2-phenylethynyl)-
CAS Number:
809231-58-1
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
4-methoxy-2-methyl-1-(2-phenylethynyl)benzene
InChI:
InChI=1S/C16H14O/c1-13-12-16(17-2)11-10-15(13)9-8-14-6-4-3-5-7-14/h3-7,10-12H,1-2H3
InChI Key:
JQTCCZCIZRDVQQ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C)C#Cc1ccccc1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.287g/mol
Monoisotopic Mass:
222.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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