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39969-28-3 | 1-(4-METHOXYPHENYL)-2-(4-N-PROPYLPHENYL)ACETYLENE
CAS No: 39969-28-3 Catalog No: AG003D08 MDL No:MFCD00187208
Product Description
Catalog Number:
AG003D08
Chemical Name:
1-(4-METHOXYPHENYL)-2-(4-N-PROPYLPHENYL)ACETYLENE
CAS Number:
39969-28-3
MDL Number:
MFCD00187208
IUPAC Name:
1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
InChI:
InChI=1S/C20H22O/c1-3-4-5-6-17-7-9-18(10-8-17)11-12-19-13-15-20(21-2)16-14-19/h7-10,13-16H,3-6H2,1-2H3
InChI Key:
ULPSMBQBIIZGAI-UHFFFAOYSA-N
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.167g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.395g/mol
Monoisotopic Mass:
278.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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