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141519-35-9 | Benzene, 1-[[4-[(methoxymethoxy)methyl]phenyl]ethynyl]-4-propyl- (9CI)
CAS No: 141519-35-9 Catalog No: AG001GIV MDL No:
Product Description
Catalog Number:
AG001GIV
Chemical Name:
Benzene, 1-[[4-[(methoxymethoxy)methyl]phenyl]ethynyl]-4-propyl- (9CI)
CAS Number:
141519-35-9
Molecular Formula:
C20H22O2
Molecular Weight:
294.3875
IUPAC Name:
1-(methoxymethoxymethyl)-4-[2-(4-propylphenyl)ethynyl]benzene
InChI:
InChI=1S/C20H22O2/c1-3-4-17-5-7-18(8-6-17)9-10-19-11-13-20(14-12-19)15-22-16-21-2/h5-8,11-14H,3-4,15-16H2,1-2H3
InChI Key:
GDBVILRNRHDGAS-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C#Cc1ccc(cc1)COCOC
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.162g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.394g/mol
Monoisotopic Mass:
294.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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