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122134-95-6 | Benzene, 1-methoxy-2-[2-(4-methylphenyl)ethynyl]-
CAS No: 122134-95-6 Catalog No: AG0016U7 MDL No:
Product Description
Catalog Number:
AG0016U7
Chemical Name:
Benzene, 1-methoxy-2-[2-(4-methylphenyl)ethynyl]-
CAS Number:
122134-95-6
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
1-methoxy-2-[2-(4-methylphenyl)ethynyl]benzene
InChI:
InChI=1S/C16H14O/c1-13-7-9-14(10-8-13)11-12-15-5-3-4-6-16(15)17-2/h3-10H,1-2H3
InChI Key:
KYRKZBFKNAAUBT-UHFFFAOYSA-N
SMILES:
COc1ccccc1C#Cc1ccc(cc1)C
Properties
Complexity:
287
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:
4.8
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